N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

C16H27N3O2 — CID 119262248

IUPACN-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESO=C(NCCCN1CCCC1=O)C1CC2CCCCC2N1
InChIInChI=1S/C16H27N3O2/c20-15-7-3-9-19(15)10-4-8-17-16(21)14-11-12-5-1-2-6-13(12)18-14/h12-14,18H,1-11H2,(H,17,21)
InChIKeyPWJWPBFBANLIDH-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.04
Rot. Bonds5

About N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (PubChem CID 119262248) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
PubChem CID119262248
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESO=C(NCCCN1CCCC1=O)C1CC2CCCCC2N1
InChIInChI=1S/C16H27N3O2/c20-15-7-3-9-19(15)10-4-8-17-16(21)14-11-12-5-1-2-6-13(12)18-14/h12-14,18H,1-11H2,(H,17,21)
InChIKeyPWJWPBFBANLIDH-UHFFFAOYSA-N
XLogP1.04
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-2-carboxamide
CID 119262246
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119851073
N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopentanecarboxamide
CID 17217958
N-[3-(4-methylpiperidin-1-yl)propyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119835616
N-(3-cyclopentylpropyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 103795254
N-(3-cyclopentylpropyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119289828
cis-(1R,2S)-2-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 42546160
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119262243
N-pent-4-ynyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 106221910
N-(3,3,3-trifluoropropyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 63227285
N-[3-(2-oxoazepan-1-yl)propyl]piperidine-4-carboxamide
CID 119270399
N-[4-(cyclopropylamino)-4-oxobutyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 79377074

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (CID 119262248) is N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is O=C(NCCCN1CCCC1=O)C1CC2CCCCC2N1.
What is the InChIKey of N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The InChIKey is PWJWPBFBANLIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c20-15-7-3-9-19(15)10-4-8-17-16(21)14-11-12-5-1-2-6-13(12)18-14/h12-14,18H,1-11H2,(H,17,21).
What are the key properties of N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is sourced from PubChem (CID 119262248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).