cyclopentanone;3-(cyclopenten-1-yl)-1H-indole-6-carboxylic acid;3-cyclopentyl-1H-indole-6-carboxylic acid;1H-indole-6-carboxylic acid;methyl 2-bromo-3-cyclopentyl-1-methylindole-6-carboxylate;methyl 3-cyclopentyl-1-methylindole-6-carboxylate;molecular bromine

C74H80Br3N5O11 — CID 160973317

IUPACcyclopentanone;3-(cyclopenten-1-yl)-1H-indole-6-carboxylic acid;3-cyclopentyl-1H-indole-6-carboxylic acid;1H-indole-6-carboxylic acid;methyl 2-bromo-3-cyclopentyl-1-methylindole-6-carboxylate;methyl 3-cyclopentyl-1-methylindole-6-carboxylate;molecular bromine
SMILESBrBr.COC(=O)c1ccc2c(C3CCCC3)c(Br)n(C)c2c1.COC(=O)c1ccc2c(C3CCCC3)cn(C)c2c1.O=C(O)c1ccc2c(C3=CCCC3)c[nH]c2c1.O=C(O)c1ccc2c(C3CCCC3)c[nH]c2c1.O=C(O)c1ccc2cc[nH]c2c1.O=C1CCCC1
InChIInChI=1S/C16H18BrNO2.C16H19NO2.C14H15NO2.C14H13NO2.C9H7NO2.C5H8O.Br2/c1-18-13-9-11(16(19)20-2)7-8-12(13)14(15(18)17)10-5-3-4-6-10;1-17-10-14(11-5-3-4-6-11)13-8-7-12(9-15(13)17)16(18)19-2;2*16-14(17)10-5-6-11-12(8-15-13(11)7-10)9-3-1-2-4-9;11-9(12)7-2-1-6-3-4-10-8(6)5-7;6-5-3-1-2-4-5;1-2/h7-10H,3-6H2,1-2H3;7-11H,3-6H2,1-2H3;5-9,15H,1-4H2,(H,16,17);3,5-8,15H,1-2,4H2,(H,16,17);1-5,10H,(H,11,12);1-4H2;
InChIKeySYNSLNKMVPVPQQ-UHFFFAOYSA-N
MW1455.19 g/mol
LogP19.65
Rot. Bonds9

About cyclopentanone;3-(cyclopenten-1-yl)-1H-indole-6-carboxylic acid;3-cyclopentyl-1H-indole-6-carboxylic acid;1H-indole-6-carboxylic acid;methyl 2-bromo-3-cyclopentyl-1-methylindole-6-carboxylate;methyl 3-cyclopentyl-1-methylindole-6-carboxylate;molecular bromine

cyclopentanone;3-(cyclopenten-1-yl)-1H-indole-6-carboxylic acid;3-cyclopentyl-1H-indole-6-carboxylic acid;1H-indole-6-carboxylic acid;methyl 2-bromo-3-cyclopentyl-1-methylindole-6-carboxylate;methyl 3-cyclopentyl-1-methylindole-6-carboxylate;molecular bromine (PubChem CID 160973317) has the molecular formula C74H80Br3N5O11 and a molecular weight of 1455.19 g/mol. Its IUPAC name is cyclopentanone;3-(cyclopenten-1-yl)-1H-indole-6-carboxylic acid;3-cyclopentyl-1H-indole-6-carboxylic acid;1H-indole-6-carboxylic acid;methyl 2-bromo-3-cyclopentyl-1-methylindole-6-carboxylate;methyl 3-cyclopentyl-1-methylindole-6-carboxylate;molecular bromine.

Molecular Properties

Compound Namecyclopentanone;3-(cyclopenten-1-yl)-1H-indole-6-carboxylic acid;3-cyclopentyl-1H-indole-6-carboxylic acid;1H-indole-6-carboxylic acid;methyl 2-bromo-3-cyclopentyl-1-methylindole-6-carboxylate;methyl 3-cyclopentyl-1-methylindole-6-carboxylate;molecular bromine
PubChem CID160973317
Molecular FormulaC74H80Br3N5O11
Molecular Weight1455.19 g/mol
Exact Mass1451.34
IUPAC Namecyclopentanone;3-(cyclopenten-1-yl)-1H-indole-6-carboxylic acid;3-cyclopentyl-1H-indole-6-carboxylic acid;1H-indole-6-carboxylic acid;methyl 2-bromo-3-cyclopentyl-1-methylindole-6-carboxylate;methyl 3-cyclopentyl-1-methylindole-6-carboxylate;molecular bromine
SMILESBrBr.COC(=O)c1ccc2c(C3CCCC3)c(Br)n(C)c2c1.COC(=O)c1ccc2c(C3CCCC3)cn(C)c2c1.O=C(O)c1ccc2c(C3=CCCC3)c[nH]c2c1.O=C(O)c1ccc2c(C3CCCC3)c[nH]c2c1.O=C(O)c1ccc2cc[nH]c2c1.O=C1CCCC1
InChIInChI=1S/C16H18BrNO2.C16H19NO2.C14H15NO2.C14H13NO2.C9H7NO2.C5H8O.Br2/c1-18-13-9-11(16(19)20-2)7-8-12(13)14(15(18)17)10-5-3-4-6-10;1-17-10-14(11-5-3-4-6-11)13-8-7-12(9-15(13)17)16(18)19-2;2*16-14(17)10-5-6-11-12(8-15-13(11)7-10)9-3-1-2-4-9;11-9(12)7-2-1-6-3-4-10-8(6)5-7;6-5-3-1-2-4-5;1-2/h7-10H,3-6H2,1-2H3;7-11H,3-6H2,1-2H3;5-9,15H,1-4H2,(H,16,17);3,5-8,15H,1-2,4H2,(H,16,17);1-5,10H,(H,11,12);1-4H2;
InChIKeySYNSLNKMVPVPQQ-UHFFFAOYSA-N
XLogP19.65
TPSA238.80 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001455.19
LogP ≤ 519.65
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze cyclopentanone;3-(cyclopenten-1-yl)-1H-indole-6-carboxylic acid;3-cyclopentyl-1H-indole-6-carboxylic acid;1H-indole-6-carboxylic acid;methyl 2-bromo-3-cyclopentyl-1-methylindole-6-carboxylate;methyl 3-cyclopentyl-1-methylindole-6-carboxylate;molecular bromine with MolForge

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Related Compounds

sodium;3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-one;3-(3,3-dimethyl-1,5-dioxaspiro[5.5]undec-9-en-9-yl)-1H-indole-6-carboxylic acid;1H-indole-6-carboxylic acid;methane;methanolate;methyl 2-bromo-3-(4,4-difluorocyclohexyl)-1-methylindole-6-carboxylate;methyl 3-(4,4-difluorocyclohexyl)-1-methylindole-6-carboxylate;methyl 3-(3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-yl)-1-methylindole-6-carboxylate;methyl 1-methyl-3-(4-oxocyclohexyl)indole-6-carboxylate;molecular bromine;molecular hydrogen
CID 158525625
3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-one;3-(3,3-dimethyl-1,5-dioxaspiro[5.5]undec-9-en-9-yl)-1H-indole-6-carboxylic acid;1H-indole-6-carboxylic acid;methane;methyl 2-bromo-3-(4,4-difluorocyclohexyl)-1-methylindole-6-carboxylate;methyl 3-(4,4-difluorocyclohexyl)-1-methylindole-6-carboxylate;methyl 3-(3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-yl)-1-methylindole-6-carboxylate;methyl 1-methyl-3-(4-oxocyclohexyl)indole-6-carboxylate;molecular bromine;molecular hydrogen
CID 161467040
1-(bromomethyl)-4-(trifluoromethyl)benzene;1-(2-fluoroethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxylic acid;methyl 1-(2-fluoroethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxylate;methyl 1H-indole-5-carboxylate;methyl 2-[[4-(trifluoromethyl)phenyl]methyl]-1H-indole-5-carboxylate
CID 161979196
2-(2-bromo-3-cyclohexyl-6-methoxycarbonylindol-1-yl)acetic acid;methyl 2-bromo-3-cyclohexyl-1-ethylindole-6-carboxylate;methyl 2-bromo-3-cyclohexyl-1H-indole-6-carboxylate
CID 90834064
1-(4-bromophenyl)ethanone;3-(cyclopentylmethyl)-1H-indole;ethane;methanol;methyl (E)-3-(4-acetylphenyl)prop-2-enoate;methyl (E)-3-[4-[(1R)-1-[(2R)-2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]ethyl]phenyl]prop-2-enoate
CID 123945200
ethane;1H-indol-6-ylboronic acid;3-(1H-indol-6-ylmethyl)benzoic acid;methyl 3-(bromomethyl)benzoate;methyl 3-(1H-indol-6-ylmethyl)benzoate
CID 157066025
potassium;cyclopentanone;3-(cyclopenten-1-yl)-1H-indole-6-carboxylic acid;3-cyclopentyl-1H-indole-6-carboxylic acid;ethane;hydroperoxymethane;1H-indole-6-carboxylic acid;iodomethane;methyl 2-bromo-3-cyclopentyl-1H-indole-6-carboxylate;methyl 3-cyclopentyl-1H-indole-6-carboxylate;2-(trichloromethyl)oxolane;hydroxide
CID 157099720
3-cyclohexyl-10,15-diazapentacyclo[13.7.0.02,10.04,9.016,21]docosa-1(22),2,4(9),5,7,16,18,20-octaene-7-carboxylic acid;1,4-diiodobutane;methoxymethylbenzene;methyl 2-bromo-3-cyclohexyl-1H-indole-6-carboxylate;methyl 3-cyclohexyl-2-(1H-indol-2-yl)-1H-indole-6-carboxylate;[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
CID 157124078
CID 157186002
CID 157186002
2-bromo-3-cyclohexyl-1H-indole-6-carboxylic acid;methyl 2-bromo-3-cyclohexyl-1H-indole-6-carboxylate
CID 157209631
5-methyl-1H-indene;2-methyl-3H-indene-5-carboxylic acid;2-methyl-1H-indole;6-methyl-1H-indole;6-methyl-3H-indole;2-methyl-1H-indole-5-carboxylic acid;5-methyl-1H-isoindole;methyl 2-methyl-1H-indole-5-carboxylate
CID 157266905
3-Cyclohexyl-16-(1-methylpiperidin-4-yl)-10,14-diazapentacyclo[12.6.1.02,10.04,9.017,21]henicosa-1(20),2,4(9),5,7,15,17(21),18-octaene-7-carboxylic acid;methyl 3-cyclohexyl-16-(1-methylpiperidin-4-yl)-10,14-diazapentacyclo[12.6.1.02,10.04,9.017,21]henicosa-1(20),2,4(9),5,7,15,17(21),18-octaene-7-carboxylate;methyl 3-cyclohexyl-16-piperidin-4-yl-10,14-diazapentacyclo[12.6.1.02,10.04,9.017,21]henicosa-1(20),2,4(9),5,7,15,17(21),18-octaene-7-carboxylate
CID 157273116

Frequently Asked Questions

What is the IUPAC name of cyclopentanone;3-(cyclopenten-1-yl)-1H-indole-6-carboxylic acid;3-cyclopentyl-1H-indole-6-carboxylic acid;1H-indole-6-carboxylic acid;methyl 2-bromo-3-cyclopentyl-1-methylindole-6-carboxylate;methyl 3-cyclopentyl-1-methylindole-6-carboxylate;molecular bromine?
The IUPAC name of cyclopentanone;3-(cyclopenten-1-yl)-1H-indole-6-carboxylic acid;3-cyclopentyl-1H-indole-6-carboxylic acid;1H-indole-6-carboxylic acid;methyl 2-bromo-3-cyclopentyl-1-methylindole-6-carboxylate;methyl 3-cyclopentyl-1-methylindole-6-carboxylate;molecular bromine (CID 160973317) is cyclopentanone;3-(cyclopenten-1-yl)-1H-indole-6-carboxylic acid;3-cyclopentyl-1H-indole-6-carboxylic acid;1H-indole-6-carboxylic acid;methyl 2-bromo-3-cyclopentyl-1-methylindole-6-carboxylate;methyl 3-cyclopentyl-1-methylindole-6-carboxylate;molecular bromine.
What is the SMILES notation for cyclopentanone;3-(cyclopenten-1-yl)-1H-indole-6-carboxylic acid;3-cyclopentyl-1H-indole-6-carboxylic acid;1H-indole-6-carboxylic acid;methyl 2-bromo-3-cyclopentyl-1-methylindole-6-carboxylate;methyl 3-cyclopentyl-1-methylindole-6-carboxylate;molecular bromine?
The canonical SMILES for cyclopentanone;3-(cyclopenten-1-yl)-1H-indole-6-carboxylic acid;3-cyclopentyl-1H-indole-6-carboxylic acid;1H-indole-6-carboxylic acid;methyl 2-bromo-3-cyclopentyl-1-methylindole-6-carboxylate;methyl 3-cyclopentyl-1-methylindole-6-carboxylate;molecular bromine is BrBr.COC(=O)c1ccc2c(C3CCCC3)c(Br)n(C)c2c1.COC(=O)c1ccc2c(C3CCCC3)cn(C)c2c1.O=C(O)c1ccc2c(C3=CCCC3)c[nH]c2c1.O=C(O)c1ccc2c(C3CCCC3)c[nH]c2c1.O=C(O)c1ccc2cc[nH]c2c1.O=C1CCCC1.
What is the InChIKey of cyclopentanone;3-(cyclopenten-1-yl)-1H-indole-6-carboxylic acid;3-cyclopentyl-1H-indole-6-carboxylic acid;1H-indole-6-carboxylic acid;methyl 2-bromo-3-cyclopentyl-1-methylindole-6-carboxylate;methyl 3-cyclopentyl-1-methylindole-6-carboxylate;molecular bromine?
The InChIKey is SYNSLNKMVPVPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2.C16H19NO2.C14H15NO2.C14H13NO2.C9H7NO2.C5H8O.Br2/c1-18-13-9-11(16(19)20-2)7-8-12(13)14(15(18)17)10-5-3-4-6-10;1-17-10-14(11-5-3-4-6-11)13-8-7-12(9-15(13)17)16(18)19-2;2*16-14(17)10-5-6-11-12(8-15-13(11)7-10)9-3-1-2-4-9;11-9(12)7-2-1-6-3-4-10-8(6)5-7;6-5-3-1-2-4-5;1-2/h7-10H,3-6H2,1-2H3;7-11H,3-6H2,1-2H3;5-9,15H,1-4H2,(H,16,17);3,5-8,15H,1-2,4H2,(H,16,17);1-5,10H,(H,11,12);1-4H2;.
What are the key properties of cyclopentanone;3-(cyclopenten-1-yl)-1H-indole-6-carboxylic acid;3-cyclopentyl-1H-indole-6-carboxylic acid;1H-indole-6-carboxylic acid;methyl 2-bromo-3-cyclopentyl-1-methylindole-6-carboxylate;methyl 3-cyclopentyl-1-methylindole-6-carboxylate;molecular bromine?
cyclopentanone;3-(cyclopenten-1-yl)-1H-indole-6-carboxylic acid;3-cyclopentyl-1H-indole-6-carboxylic acid;1H-indole-6-carboxylic acid;methyl 2-bromo-3-cyclopentyl-1-methylindole-6-carboxylate;methyl 3-cyclopentyl-1-methylindole-6-carboxylate;molecular bromine has a molecular weight of 1455.19 g/mol, XLogP of 19.65, 9 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentanone;3-(cyclopenten-1-yl)-1H-indole-6-carboxylic acid;3-cyclopentyl-1H-indole-6-carboxylic acid;1H-indole-6-carboxylic acid;methyl 2-bromo-3-cyclopentyl-1-methylindole-6-carboxylate;methyl 3-cyclopentyl-1-methylindole-6-carboxylate;molecular bromine is sourced from PubChem (CID 160973317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).