N-cyclohex-2-en-1-yl-1-pyrrolidin-1-ylcyclohexane-1-carboxamide

C17H28N2O — CID 131893580

IUPACN-cyclohex-2-en-1-yl-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
SMILESO=C(NC1C=CCCC1)C1(N2CCCC2)CCCCC1
InChIInChI=1S/C17H28N2O/c20-16(18-15-9-3-1-4-10-15)17(11-5-2-6-12-17)19-13-7-8-14-19/h3,9,15H,1-2,4-8,10-14H2,(H,18,20)
InChIKeyXRRHNRRLDGHZKR-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.01
Rot. Bonds3

About N-cyclohex-2-en-1-yl-1-pyrrolidin-1-ylcyclohexane-1-carboxamide

N-cyclohex-2-en-1-yl-1-pyrrolidin-1-ylcyclohexane-1-carboxamide (PubChem CID 131893580) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-cyclohex-2-en-1-yl-1-pyrrolidin-1-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-cyclohex-2-en-1-yl-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
PubChem CID131893580
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-cyclohex-2-en-1-yl-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
SMILESO=C(NC1C=CCCC1)C1(N2CCCC2)CCCCC1
InChIInChI=1S/C17H28N2O/c20-16(18-15-9-3-1-4-10-15)17(11-5-2-6-12-17)19-13-7-8-14-19/h3,9,15H,1-2,4-8,10-14H2,(H,18,20)
InChIKeyXRRHNRRLDGHZKR-UHFFFAOYSA-N
XLogP3.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-cyclohex-2-en-1-yl-1-pyrrolidin-1-ylcyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclohexyl-2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)acetamide
CID 2968496
n-(2-(Cyclohex-1-en-1-yl)ethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 3000147
N-[(1-methyl-1,2,5,6-tetrahydropyridin-3-yl)methyl]-N-{[(2S)-5-oxopyrrolidin-2-yl]methyl}cyclohexanecarboxamide
CID 56701806
(2R)-1-(cyclohexanecarbonyl)-N-prop-2-enyl-2,5-dihydropyrrole-2-carboxamide
CID 51583259
(2S,4S)-4-amino-N-ethyl-1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]pyrrolidine-2-carboxamide
CID 56714127
N-[1-(prop-2-enylcarbamoyl)cyclohexyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 56824683
1-Cyclohex-2-en-1-yl-7,7-dimethyl-3-(methylamino)azepan-2-one
CID 22984665
1-Cyclopent-2-en-1-yl-7,7-dimethyl-3-(methylamino)azepan-2-one
CID 22984681
1-(3-Cyclohexylpropanoyl)-2,5-dihydropyrrole-2-carboxamide
CID 67599441
10-Methyl-1,10-diazaspiro[4.6]undec-7-en-11-one
CID 86063202
N-[1-[(2-amino-4-methylhexan-3-yl)amino]-3-cyclohex-3-en-1-yl-1-oxopropan-2-yl]-2-methylpentanamide
CID 90780319
(5R)-10-methyl-1,10-diazaspiro[4.6]undec-7-en-11-one
CID 131213590

Frequently Asked Questions

What is the IUPAC name of N-cyclohex-2-en-1-yl-1-pyrrolidin-1-ylcyclohexane-1-carboxamide?
The IUPAC name of N-cyclohex-2-en-1-yl-1-pyrrolidin-1-ylcyclohexane-1-carboxamide (CID 131893580) is N-cyclohex-2-en-1-yl-1-pyrrolidin-1-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-cyclohex-2-en-1-yl-1-pyrrolidin-1-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-cyclohex-2-en-1-yl-1-pyrrolidin-1-ylcyclohexane-1-carboxamide is O=C(NC1C=CCCC1)C1(N2CCCC2)CCCCC1.
What is the InChIKey of N-cyclohex-2-en-1-yl-1-pyrrolidin-1-ylcyclohexane-1-carboxamide?
The InChIKey is XRRHNRRLDGHZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c20-16(18-15-9-3-1-4-10-15)17(11-5-2-6-12-17)19-13-7-8-14-19/h3,9,15H,1-2,4-8,10-14H2,(H,18,20).
What are the key properties of N-cyclohex-2-en-1-yl-1-pyrrolidin-1-ylcyclohexane-1-carboxamide?
N-cyclohex-2-en-1-yl-1-pyrrolidin-1-ylcyclohexane-1-carboxamide has a molecular weight of 276.42 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-2-en-1-yl-1-pyrrolidin-1-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 131893580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).