2-(3-methylidenecyclohexyl)-1-pyrrolidin-1-ylethanone

C13H21NO — CID 91156199

IUPAC2-(3-methylidenecyclohexyl)-1-pyrrolidin-1-ylethanone
SMILESC=C1CCCC(CC(=O)N2CCCC2)C1
InChIInChI=1S/C13H21NO/c1-11-5-4-6-12(9-11)10-13(15)14-7-2-3-8-14/h12H,1-10H2
InChIKeyGRZIHNXFSMEOHJ-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.75
Rot. Bonds2

About 2-(3-methylidenecyclohexyl)-1-pyrrolidin-1-ylethanone

2-(3-methylidenecyclohexyl)-1-pyrrolidin-1-ylethanone (PubChem CID 91156199) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-(3-methylidenecyclohexyl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(3-methylidenecyclohexyl)-1-pyrrolidin-1-ylethanone
PubChem CID91156199
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-(3-methylidenecyclohexyl)-1-pyrrolidin-1-ylethanone
SMILESC=C1CCCC(CC(=O)N2CCCC2)C1
InChIInChI=1S/C13H21NO/c1-11-5-4-6-12(9-11)10-13(15)14-7-2-3-8-14/h12H,1-10H2
InChIKeyGRZIHNXFSMEOHJ-UHFFFAOYSA-N
XLogP2.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Cyclohexyl-1-(pyrrolidin-1-yl)butan-1-one
CID 12760908
(2-Fluoro-4-methylidenecyclohexyl)-pyrrolidin-1-ylmethanone
CID 91216241
1-(Cyclohexylmethyl)-4-methylidenepyrrolidin-2-one
CID 138969666
2-(Cyclohexen-1-yl)-1-pyrrolidin-1-ylethanone
CID 11333014
3-Cyclohexyl-1-(pyrrolidin-1-yl)propan-1-one
CID 5156755
2-Cyclohexyl-1-pyrrolidin-1-ylethanone
CID 12760893
1-(5-Methyl-6-methylidenenonan-2-yl)pyrrolidin-2-one
CID 20657016
2-cyclohexyl-N,N-dihexylprop-2-enamide
CID 53883172
(3S)-1-ethyl-3-(3-methylbut-3-enyl)pyrrolidin-2-one
CID 54259302
1-(Cyclohexylmethyl)-3-methylidenepyrrolidin-2-one
CID 57270156
cyclohexyl-[(3R)-3-ethenylpyrrolidin-1-yl]methanone
CID 67600688
4-(1-Cyclohexylethenyl)pyrrolidin-2-one
CID 69500926

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylidenecyclohexyl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(3-methylidenecyclohexyl)-1-pyrrolidin-1-ylethanone (CID 91156199) is 2-(3-methylidenecyclohexyl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(3-methylidenecyclohexyl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(3-methylidenecyclohexyl)-1-pyrrolidin-1-ylethanone is C=C1CCCC(CC(=O)N2CCCC2)C1.
What is the InChIKey of 2-(3-methylidenecyclohexyl)-1-pyrrolidin-1-ylethanone?
The InChIKey is GRZIHNXFSMEOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-11-5-4-6-12(9-11)10-13(15)14-7-2-3-8-14/h12H,1-10H2.
What are the key properties of 2-(3-methylidenecyclohexyl)-1-pyrrolidin-1-ylethanone?
2-(3-methylidenecyclohexyl)-1-pyrrolidin-1-ylethanone has a molecular weight of 207.32 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylidenecyclohexyl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 91156199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).