methyl 2-(1-methylindole-3-carbonyl)cyclohexane-1-carboxylate

C18H21NO3 — CID 85370263

IUPACmethyl 2-(1-methylindole-3-carbonyl)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCCCC1C(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C18H21NO3/c1-19-11-15(12-7-5-6-10-16(12)19)17(20)13-8-3-4-9-14(13)18(21)22-2/h5-7,10-11,13-14H,3-4,8-9H2,1-2H3
InChIKeyFUUZDKYERZTDAN-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.34
Rot. Bonds3

About methyl 2-(1-methylindole-3-carbonyl)cyclohexane-1-carboxylate

methyl 2-(1-methylindole-3-carbonyl)cyclohexane-1-carboxylate (PubChem CID 85370263) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is methyl 2-(1-methylindole-3-carbonyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1-methylindole-3-carbonyl)cyclohexane-1-carboxylate
PubChem CID85370263
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Namemethyl 2-(1-methylindole-3-carbonyl)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCCCC1C(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C18H21NO3/c1-19-11-15(12-7-5-6-10-16(12)19)17(20)13-8-3-4-9-14(13)18(21)22-2/h5-7,10-11,13-14H,3-4,8-9H2,1-2H3
InChIKeyFUUZDKYERZTDAN-UHFFFAOYSA-N
XLogP3.34
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylindole-3-carbonyl)cyclopentane-1-carboxylic acid
CID 114391841
N-cyclopentyl-1-methylindole-3-carboxamide
CID 9209194
(1-methylindol-3-yl)-(2-methyloxolan-3-yl)methanone
CID 79757869
2-(1-methylindole-3-carbonyl)cyclopentan-1-one
CID 102291914
[(1R)-cyclohex-3-en-1-yl]-(1-methylindol-3-yl)methanone
CID 95654424
2,3-dihydro-1H-inden-2-yl-(1-methylindol-3-yl)methanone
CID 106892551
2-cyclohexyl-1-(1-methylindol-3-yl)ethanone
CID 43161950
[2-(cyclooctylamino)-2-oxoethyl] 1-methylindole-3-carboxylate
CID 27571304
N-[(2-hydroxycyclohexyl)methyl]-1-methylindole-3-carboxamide
CID 64911107
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-methylindol-3-yl)methanone
CID 66394358
azetidin-1-yl-(1-methylindol-3-yl)methanone
CID 17458441
(1-methylindol-3-yl)-pyrrolidin-1-ylmethanone
CID 4207786

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-methylindole-3-carbonyl)cyclohexane-1-carboxylate?
The IUPAC name of methyl 2-(1-methylindole-3-carbonyl)cyclohexane-1-carboxylate (CID 85370263) is methyl 2-(1-methylindole-3-carbonyl)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 2-(1-methylindole-3-carbonyl)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 2-(1-methylindole-3-carbonyl)cyclohexane-1-carboxylate is COC(=O)C1CCCCC1C(=O)c1cn(C)c2ccccc12.
What is the InChIKey of methyl 2-(1-methylindole-3-carbonyl)cyclohexane-1-carboxylate?
The InChIKey is FUUZDKYERZTDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-19-11-15(12-7-5-6-10-16(12)19)17(20)13-8-3-4-9-14(13)18(21)22-2/h5-7,10-11,13-14H,3-4,8-9H2,1-2H3.
What are the key properties of methyl 2-(1-methylindole-3-carbonyl)cyclohexane-1-carboxylate?
methyl 2-(1-methylindole-3-carbonyl)cyclohexane-1-carboxylate has a molecular weight of 299.37 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-methylindole-3-carbonyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 85370263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).