1-(1-cyclohexylethenyl)pyrrolidin-2-one

C12H19NO — CID 155408259

IUPAC1-(1-cyclohexylethenyl)pyrrolidin-2-one
SMILESC=C(C1CCCCC1)N1CCCC1=O
InChIInChI=1S/C12H19NO/c1-10(11-6-3-2-4-7-11)13-9-5-8-12(13)14/h11H,1-9H2
InChIKeyLMEGIBVUCORZIK-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.70
Rot. Bonds2

About 1-(1-cyclohexylethenyl)pyrrolidin-2-one

1-(1-cyclohexylethenyl)pyrrolidin-2-one (PubChem CID 155408259) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(1-cyclohexylethenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(1-cyclohexylethenyl)pyrrolidin-2-one
PubChem CID155408259
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-(1-cyclohexylethenyl)pyrrolidin-2-one
SMILESC=C(C1CCCCC1)N1CCCC1=O
InChIInChI=1S/C12H19NO/c1-10(11-6-3-2-4-7-11)13-9-5-8-12(13)14/h11H,1-9H2
InChIKeyLMEGIBVUCORZIK-UHFFFAOYSA-N
XLogP2.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylethenyl)pyrrolidin-2-one?
The IUPAC name of 1-(1-cyclohexylethenyl)pyrrolidin-2-one (CID 155408259) is 1-(1-cyclohexylethenyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(1-cyclohexylethenyl)pyrrolidin-2-one?
The canonical SMILES for 1-(1-cyclohexylethenyl)pyrrolidin-2-one is C=C(C1CCCCC1)N1CCCC1=O.
What is the InChIKey of 1-(1-cyclohexylethenyl)pyrrolidin-2-one?
The InChIKey is LMEGIBVUCORZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-10(11-6-3-2-4-7-11)13-9-5-8-12(13)14/h11H,1-9H2.
What are the key properties of 1-(1-cyclohexylethenyl)pyrrolidin-2-one?
1-(1-cyclohexylethenyl)pyrrolidin-2-one has a molecular weight of 193.29 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylethenyl)pyrrolidin-2-one is sourced from PubChem (CID 155408259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).