1-(cyclohexylmethyl)pyrrolidin-2-one

C11H19NO — CID 11805366

IUPAC1-(cyclohexylmethyl)pyrrolidin-2-one
SMILESO=C1CCCN1CC1CCCCC1
InChIInChI=1S/C11H19NO/c13-11-7-4-8-12(11)9-10-5-2-1-3-6-10/h10H,1-9H2
InChIKeyIESLDMNLOWUVKI-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.19
Rot. Bonds2

About 1-(cyclohexylmethyl)pyrrolidin-2-one

1-(cyclohexylmethyl)pyrrolidin-2-one (PubChem CID 11805366) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(cyclohexylmethyl)pyrrolidin-2-one
PubChem CID11805366
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-(cyclohexylmethyl)pyrrolidin-2-one
SMILESO=C1CCCN1CC1CCCCC1
InChIInChI=1S/C11H19NO/c13-11-7-4-8-12(11)9-10-5-2-1-3-6-10/h10H,1-9H2
InChIKeyIESLDMNLOWUVKI-UHFFFAOYSA-N
XLogP2.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)pyrrolidin-2-one?
The IUPAC name of 1-(cyclohexylmethyl)pyrrolidin-2-one (CID 11805366) is 1-(cyclohexylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(cyclohexylmethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(cyclohexylmethyl)pyrrolidin-2-one is O=C1CCCN1CC1CCCCC1.
What is the InChIKey of 1-(cyclohexylmethyl)pyrrolidin-2-one?
The InChIKey is IESLDMNLOWUVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c13-11-7-4-8-12(11)9-10-5-2-1-3-6-10/h10H,1-9H2.
What are the key properties of 1-(cyclohexylmethyl)pyrrolidin-2-one?
1-(cyclohexylmethyl)pyrrolidin-2-one has a molecular weight of 181.28 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 11805366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).