methyl 1-(cyclohexanecarbonyl)-2,3-dihydroindole-5-carboxylate

C17H21NO3 — CID 86917335

IUPACmethyl 1-(cyclohexanecarbonyl)-2,3-dihydroindole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCN2C(=O)C1CCCCC1
InChIInChI=1S/C17H21NO3/c1-21-17(20)14-7-8-15-13(11-14)9-10-18(15)16(19)12-5-3-2-4-6-12/h7-8,11-12H,2-6,9-10H2,1H3
InChIKeyXVPYHJCVKLVBQV-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.94
Rot. Bonds2

About methyl 1-(cyclohexanecarbonyl)-2,3-dihydroindole-5-carboxylate

methyl 1-(cyclohexanecarbonyl)-2,3-dihydroindole-5-carboxylate (PubChem CID 86917335) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is methyl 1-(cyclohexanecarbonyl)-2,3-dihydroindole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-(cyclohexanecarbonyl)-2,3-dihydroindole-5-carboxylate
PubChem CID86917335
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Namemethyl 1-(cyclohexanecarbonyl)-2,3-dihydroindole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCN2C(=O)C1CCCCC1
InChIInChI=1S/C17H21NO3/c1-21-17(20)14-7-8-15-13(11-14)9-10-18(15)16(19)12-5-3-2-4-6-12/h7-8,11-12H,2-6,9-10H2,1H3
InChIKeyXVPYHJCVKLVBQV-UHFFFAOYSA-N
XLogP2.94
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-[1-(3,5-dimethoxybenzoyl)piperidine-4-carbonyl]-2,3-dihydroindole-5-carboxylate
CID 55759063
1-[1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 110737681
2-chloro-1-[1-(cyclohexanecarbonyl)-2,3-dihydroindol-5-yl]butan-1-one
CID 82259087
N-cyclopentyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-carboxamide
CID 53080886
methyl 4-chloro-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]benzoate
CID 100506055
methyl 1-(2-methylpropanoyl)-2,3-dihydroindole-5-carboxylate
CID 86917334
methyl 1-benzoyl-2,3-dihydroindole-5-carboxylate
CID 10660450
methyl 1-(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-2,3-dihydroindole-5-carboxylate
CID 55515343
methyl 1-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]-2,3-dihydroindole-5-carboxylate
CID 55941427
methyl 1-(3,3-dimethylbutanoyl)-2,3-dihydroindole-5-carboxylate
CID 86917336
methyl 3-amino-4-[4-(cyclopentanecarbonyl)piperazin-1-yl]benzoate
CID 89310789
2-bromo-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]ethanone
CID 82258607

Frequently Asked Questions

What is the IUPAC name of methyl 1-(cyclohexanecarbonyl)-2,3-dihydroindole-5-carboxylate?
The IUPAC name of methyl 1-(cyclohexanecarbonyl)-2,3-dihydroindole-5-carboxylate (CID 86917335) is methyl 1-(cyclohexanecarbonyl)-2,3-dihydroindole-5-carboxylate.
What is the SMILES notation for methyl 1-(cyclohexanecarbonyl)-2,3-dihydroindole-5-carboxylate?
The canonical SMILES for methyl 1-(cyclohexanecarbonyl)-2,3-dihydroindole-5-carboxylate is COC(=O)c1ccc2c(c1)CCN2C(=O)C1CCCCC1.
What is the InChIKey of methyl 1-(cyclohexanecarbonyl)-2,3-dihydroindole-5-carboxylate?
The InChIKey is XVPYHJCVKLVBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-21-17(20)14-7-8-15-13(11-14)9-10-18(15)16(19)12-5-3-2-4-6-12/h7-8,11-12H,2-6,9-10H2,1H3.
What are the key properties of methyl 1-(cyclohexanecarbonyl)-2,3-dihydroindole-5-carboxylate?
methyl 1-(cyclohexanecarbonyl)-2,3-dihydroindole-5-carboxylate has a molecular weight of 287.36 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(cyclohexanecarbonyl)-2,3-dihydroindole-5-carboxylate is sourced from PubChem (CID 86917335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).