1-(1-cyclohexylethyl)-4-ethenylpyrrolidin-2-one

C14H23NO — CID 168683527

IUPAC1-(1-cyclohexylethyl)-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(C(C)C2CCCCC2)C1
InChIInChI=1S/C14H23NO/c1-3-12-9-14(16)15(10-12)11(2)13-7-5-4-6-8-13/h3,11-13H,1,4-10H2,2H3
InChIKeyZCXCQFXTQKNBFB-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.99
Rot. Bonds3

About 1-(1-cyclohexylethyl)-4-ethenylpyrrolidin-2-one

1-(1-cyclohexylethyl)-4-ethenylpyrrolidin-2-one (PubChem CID 168683527) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(1-cyclohexylethyl)-4-ethenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(1-cyclohexylethyl)-4-ethenylpyrrolidin-2-one
PubChem CID168683527
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(1-cyclohexylethyl)-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(C(C)C2CCCCC2)C1
InChIInChI=1S/C14H23NO/c1-3-12-9-14(16)15(10-12)11(2)13-7-5-4-6-8-13/h3,11-13H,1,4-10H2,2H3
InChIKeyZCXCQFXTQKNBFB-UHFFFAOYSA-N
XLogP2.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylethyl)-4-ethenylpyrrolidin-2-one?
The IUPAC name of 1-(1-cyclohexylethyl)-4-ethenylpyrrolidin-2-one (CID 168683527) is 1-(1-cyclohexylethyl)-4-ethenylpyrrolidin-2-one.
What is the SMILES notation for 1-(1-cyclohexylethyl)-4-ethenylpyrrolidin-2-one?
The canonical SMILES for 1-(1-cyclohexylethyl)-4-ethenylpyrrolidin-2-one is C=CC1CC(=O)N(C(C)C2CCCCC2)C1.
What is the InChIKey of 1-(1-cyclohexylethyl)-4-ethenylpyrrolidin-2-one?
The InChIKey is ZCXCQFXTQKNBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-12-9-14(16)15(10-12)11(2)13-7-5-4-6-8-13/h3,11-13H,1,4-10H2,2H3.
What are the key properties of 1-(1-cyclohexylethyl)-4-ethenylpyrrolidin-2-one?
1-(1-cyclohexylethyl)-4-ethenylpyrrolidin-2-one has a molecular weight of 221.34 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylethyl)-4-ethenylpyrrolidin-2-one is sourced from PubChem (CID 168683527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).