1-(4-methylidenecyclohexyl)pyrrolidin-2-one

C11H17NO — CID 58902743

IUPAC1-(4-methylidenecyclohexyl)pyrrolidin-2-one
SMILESC=C1CCC(N2CCCC2=O)CC1
InChIInChI=1S/C11H17NO/c1-9-4-6-10(7-5-9)12-8-2-3-11(12)13/h10H,1-8H2
InChIKeyRZMJWUSOQGBQBA-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.11
Rot. Bonds1

About 1-(4-methylidenecyclohexyl)pyrrolidin-2-one

1-(4-methylidenecyclohexyl)pyrrolidin-2-one (PubChem CID 58902743) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-(4-methylidenecyclohexyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-methylidenecyclohexyl)pyrrolidin-2-one
PubChem CID58902743
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-(4-methylidenecyclohexyl)pyrrolidin-2-one
SMILESC=C1CCC(N2CCCC2=O)CC1
InChIInChI=1S/C11H17NO/c1-9-4-6-10(7-5-9)12-8-2-3-11(12)13/h10H,1-8H2
InChIKeyRZMJWUSOQGBQBA-UHFFFAOYSA-N
XLogP2.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.11
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

1-[(E)-(2-methylidenecyclohexylidene)methyl]pyrrolidin-2-one
CID 101851558
1-Cyclohexyl-4-methylidenepyrrolidin-2-one
CID 138969229
1-Cyclopentyl-4-methylidenepyrrolidin-2-one
CID 138969230
1-Cycloheptyl-4-methylidenepyrrolidin-2-one
CID 138969436
5-Buta-1,3-dien-2-yl-1-pent-4-enylpyrrolidin-2-one
CID 12104443
1-(Cyclohexylidenemethyl)pyrrolidin-2-one
CID 13790897
1-Cyclohexyl-3-methylidenepyrrolidine-2,5-dione
CID 22245527
1-(2,5-Dimethyl-4-methylidenehexan-3-yl)pyrrolidin-2-one
CID 58032082
1-(2-Methylpent-1-en-3-yl)pyrrolidin-2-one
CID 60014253
1-[(2S)-2-prop-1-en-2-ylpyrrolidin-1-yl]propan-1-one
CID 88993328
2-Methyl-1-(2-prop-1-en-2-ylpyrrolidin-1-yl)propan-1-one
CID 89957914
N-[3-(dimethylamino)propyl]-N-(4-methylidenecyclohexyl)propanamide
CID 90912916

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylidenecyclohexyl)pyrrolidin-2-one?
The IUPAC name of 1-(4-methylidenecyclohexyl)pyrrolidin-2-one (CID 58902743) is 1-(4-methylidenecyclohexyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-methylidenecyclohexyl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-methylidenecyclohexyl)pyrrolidin-2-one is C=C1CCC(N2CCCC2=O)CC1.
What is the InChIKey of 1-(4-methylidenecyclohexyl)pyrrolidin-2-one?
The InChIKey is RZMJWUSOQGBQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-9-4-6-10(7-5-9)12-8-2-3-11(12)13/h10H,1-8H2.
What are the key properties of 1-(4-methylidenecyclohexyl)pyrrolidin-2-one?
1-(4-methylidenecyclohexyl)pyrrolidin-2-one has a molecular weight of 179.26 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylidenecyclohexyl)pyrrolidin-2-one is sourced from PubChem (CID 58902743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).