cis-(1R,3R)-3-(2,3-dihydroindole-1-carbonyl)-1,2,2-trimethylcyclopentane-1-carboxylate

C18H22NO3- — CID 6927392

IUPACcis-(1R,3R)-3-(2,3-dihydroindole-1-carbonyl)-1,2,2-trimethylcyclopentane-1-carboxylate
SMILESCC1(C)[C@H](C(=O)N2CCc3ccccc32)CC[C@@]1(C)C(=O)[O-]
InChIInChI=1S/C18H23NO3/c1-17(2)13(8-10-18(17,3)16(21)22)15(20)19-11-9-12-6-4-5-7-14(12)19/h4-7,13H,8-11H2,1-3H3,(H,21,22)/p-1/t13-,18-/m0/s1
InChIKeyHAUCCCPJLQSBIQ-UGSOOPFHSA-M
MW300.38 g/mol
LogP1.77
Rot. Bonds2

About cis-(1R,3R)-3-(2,3-dihydroindole-1-carbonyl)-1,2,2-trimethylcyclopentane-1-carboxylate

cis-(1R,3R)-3-(2,3-dihydroindole-1-carbonyl)-1,2,2-trimethylcyclopentane-1-carboxylate (PubChem CID 6927392) has the molecular formula C18H22NO3- and a molecular weight of 300.38 g/mol. Its IUPAC name is cis-(1R,3R)-3-(2,3-dihydroindole-1-carbonyl)-1,2,2-trimethylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-(1R,3R)-3-(2,3-dihydroindole-1-carbonyl)-1,2,2-trimethylcyclopentane-1-carboxylate
PubChem CID6927392
Molecular FormulaC18H22NO3-
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC Namecis-(1R,3R)-3-(2,3-dihydroindole-1-carbonyl)-1,2,2-trimethylcyclopentane-1-carboxylate
SMILESCC1(C)[C@H](C(=O)N2CCc3ccccc32)CC[C@@]1(C)C(=O)[O-]
InChIInChI=1S/C18H23NO3/c1-17(2)13(8-10-18(17,3)16(21)22)15(20)19-11-9-12-6-4-5-7-14(12)19/h4-7,13H,8-11H2,1-3H3,(H,21,22)/p-1/t13-,18-/m0/s1
InChIKeyHAUCCCPJLQSBIQ-UGSOOPFHSA-M
XLogP1.77
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylate
CID 7101560
[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-(2,3-dihydroindol-1-yl)methanone
CID 124554087
cyclopropyl-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methanone
CID 26290467
1-[3-(2,3-dihydroindole-1-carbonyl)azetidin-1-yl]ethanone
CID 90511233
2,3-dihydroindol-1-yl-(3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl)methanone
CID 2950902
barium(2+);1,2,2-trimethylcyclopentane-1,3-dicarboxylate
CID 158507106
calcium 1,2,2-trimethylcyclopentane-1,3-dicarboxylate
CID 140570335
trans-(1R,2R)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylic acid
CID 7101559
1-(3,4-dihydro-2H-quinoline-1-carbonyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one
CID 18834249
(2R,5S)-5-(2,3-dihydroindole-1-carbonyl)oxolane-2-carboxylic acid
CID 102944186
2,3-dihydroindol-1-yl-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methanone
CID 120899277
2,3-dihydroindol-1-yl-(3-methylpiperidin-2-yl)methanone
CID 62340975

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3R)-3-(2,3-dihydroindole-1-carbonyl)-1,2,2-trimethylcyclopentane-1-carboxylate?
The IUPAC name of cis-(1R,3R)-3-(2,3-dihydroindole-1-carbonyl)-1,2,2-trimethylcyclopentane-1-carboxylate (CID 6927392) is cis-(1R,3R)-3-(2,3-dihydroindole-1-carbonyl)-1,2,2-trimethylcyclopentane-1-carboxylate.
What is the SMILES notation for cis-(1R,3R)-3-(2,3-dihydroindole-1-carbonyl)-1,2,2-trimethylcyclopentane-1-carboxylate?
The canonical SMILES for cis-(1R,3R)-3-(2,3-dihydroindole-1-carbonyl)-1,2,2-trimethylcyclopentane-1-carboxylate is CC1(C)[C@H](C(=O)N2CCc3ccccc32)CC[C@@]1(C)C(=O)[O-].
What is the InChIKey of cis-(1R,3R)-3-(2,3-dihydroindole-1-carbonyl)-1,2,2-trimethylcyclopentane-1-carboxylate?
The InChIKey is HAUCCCPJLQSBIQ-UGSOOPFHSA-M. The full InChI is InChI=1S/C18H23NO3/c1-17(2)13(8-10-18(17,3)16(21)22)15(20)19-11-9-12-6-4-5-7-14(12)19/h4-7,13H,8-11H2,1-3H3,(H,21,22)/p-1/t13-,18-/m0/s1.
What are the key properties of cis-(1R,3R)-3-(2,3-dihydroindole-1-carbonyl)-1,2,2-trimethylcyclopentane-1-carboxylate?
cis-(1R,3R)-3-(2,3-dihydroindole-1-carbonyl)-1,2,2-trimethylcyclopentane-1-carboxylate has a molecular weight of 300.38 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3R)-3-(2,3-dihydroindole-1-carbonyl)-1,2,2-trimethylcyclopentane-1-carboxylate is sourced from PubChem (CID 6927392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).