(3-methylidenecyclohexyl)-pyrrolidin-1-ylmethanone

C12H19NO — CID 90771932

IUPAC(3-methylidenecyclohexyl)-pyrrolidin-1-ylmethanone
SMILESC=C1CCCC(C(=O)N2CCCC2)C1
InChIInChI=1S/C12H19NO/c1-10-5-4-6-11(9-10)12(14)13-7-2-3-8-13/h11H,1-9H2
InChIKeyYWZIZQOJWXADPY-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.36
Rot. Bonds1

About (3-methylidenecyclohexyl)-pyrrolidin-1-ylmethanone

(3-methylidenecyclohexyl)-pyrrolidin-1-ylmethanone (PubChem CID 90771932) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (3-methylidenecyclohexyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(3-methylidenecyclohexyl)-pyrrolidin-1-ylmethanone
PubChem CID90771932
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(3-methylidenecyclohexyl)-pyrrolidin-1-ylmethanone
SMILESC=C1CCCC(C(=O)N2CCCC2)C1
InChIInChI=1S/C12H19NO/c1-10-5-4-6-11(9-10)12(14)13-7-2-3-8-13/h11H,1-9H2
InChIKeyYWZIZQOJWXADPY-UHFFFAOYSA-N
XLogP2.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.36
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

Cyclohexyl(pyrrolidin-1-yl)methanone
CID 5087171
2-fluoro-N,N-dimethyl-4-methylidenecyclohexane-1-carboxamide
CID 91204560
(2-Fluoro-4-methylidenecyclohexyl)-pyrrolidin-1-ylmethanone
CID 91216241
1-(Cyclohexylmethyl)-4-methylidenepyrrolidin-2-one
CID 138969666
(3S)-1-ethyl-3-(3-methylbut-3-enyl)pyrrolidin-2-one
CID 54259302
N-(2-methylprop-2-enyl)-N-pentylcyclohexanecarboxamide
CID 54470993
1-(Cyclohexylmethyl)-3-methylidenepyrrolidin-2-one
CID 57270156
Cyclopentyl-(4-methylidenepiperidin-1-yl)methanone
CID 58902768
(4S)-4-(2-methylpent-4-enyl)-1-propan-2-ylpyrrolidin-2-one
CID 59109331
CID 59694522
CID 59694522
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 (3-methylidenecyclohexyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (3-methylidenecyclohexyl)-pyrrolidin-1-ylmethanone (CID 90771932) is (3-methylidenecyclohexyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (3-methylidenecyclohexyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (3-methylidenecyclohexyl)-pyrrolidin-1-ylmethanone is C=C1CCCC(C(=O)N2CCCC2)C1.
What is the InChIKey of (3-methylidenecyclohexyl)-pyrrolidin-1-ylmethanone?
The InChIKey is YWZIZQOJWXADPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-10-5-4-6-11(9-10)12(14)13-7-2-3-8-13/h11H,1-9H2.
What are the key properties of (3-methylidenecyclohexyl)-pyrrolidin-1-ylmethanone?
(3-methylidenecyclohexyl)-pyrrolidin-1-ylmethanone has a molecular weight of 193.29 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylidenecyclohexyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 90771932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).