2-(cyclohexen-1-yl)-N-[(3S)-pyrrolidin-3-yl]acetamide

C12H20N2O — CID 79688799

IUPAC2-(cyclohexen-1-yl)-N-[(3S)-pyrrolidin-3-yl]acetamide
SMILESO=C(CC1=CCCCC1)N[C@H]1CCNC1
InChIInChI=1S/C12H20N2O/c15-12(14-11-6-7-13-9-11)8-10-4-2-1-3-5-10/h4,11,13H,1-3,5-9H2,(H,14,15)/t11-/m0/s1
InChIKeyYVMOTDWZVXOGLD-NSHDSACASA-N
MW208.30 g/mol
LogP1.36
Rot. Bonds3

About 2-(cyclohexen-1-yl)-N-[(3S)-pyrrolidin-3-yl]acetamide

2-(cyclohexen-1-yl)-N-[(3S)-pyrrolidin-3-yl]acetamide (PubChem CID 79688799) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-[(3S)-pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-[(3S)-pyrrolidin-3-yl]acetamide
PubChem CID79688799
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-(cyclohexen-1-yl)-N-[(3S)-pyrrolidin-3-yl]acetamide
SMILESO=C(CC1=CCCCC1)N[C@H]1CCNC1
InChIInChI=1S/C12H20N2O/c15-12(14-11-6-7-13-9-11)8-10-4-2-1-3-5-10/h4,11,13H,1-3,5-9H2,(H,14,15)/t11-/m0/s1
InChIKeyYVMOTDWZVXOGLD-NSHDSACASA-N
XLogP1.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylphenyl)-N-pyrrolidin-3-ylacetamide
CID 43603662
2-(4-chlorophenyl)-N-pyrrolidin-3-ylacetamide
CID 62379159
2-phenyl-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 79688083
2-(cyclohexen-1-yl)-N-methyl-N-piperidin-4-ylacetamide
CID 63564422
2-[[2-(cyclohexen-1-yl)acetyl]amino]cyclopentane-1-carboxamide
CID 71989735
N-[2-(cyclohexen-1-yl)ethyl]-2-piperidin-3-ylacetamide
CID 55105005
N-[(3S)-pyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 79688212
2-(4-methylphenyl)-N-[(3R)-piperidin-3-yl]acetamide
CID 113436646
N-pyrrolidin-3-ylpropanamide
CID 18337238
N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119452098
2-(cyclohexen-1-yl)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106121943
2-cyclobutyl-N-[(3R)-pyrrolidin-3-yl]acetamide
CID 103165051

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-[(3S)-pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(cyclohexen-1-yl)-N-[(3S)-pyrrolidin-3-yl]acetamide (CID 79688799) is 2-(cyclohexen-1-yl)-N-[(3S)-pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-[(3S)-pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-[(3S)-pyrrolidin-3-yl]acetamide is O=C(CC1=CCCCC1)N[C@H]1CCNC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-[(3S)-pyrrolidin-3-yl]acetamide?
The InChIKey is YVMOTDWZVXOGLD-NSHDSACASA-N. The full InChI is InChI=1S/C12H20N2O/c15-12(14-11-6-7-13-9-11)8-10-4-2-1-3-5-10/h4,11,13H,1-3,5-9H2,(H,14,15)/t11-/m0/s1.
What are the key properties of 2-(cyclohexen-1-yl)-N-[(3S)-pyrrolidin-3-yl]acetamide?
2-(cyclohexen-1-yl)-N-[(3S)-pyrrolidin-3-yl]acetamide has a molecular weight of 208.30 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-[(3S)-pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 79688799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).