2-cyclohexylpyrrolidin-3-one

C10H17NO — CID 83826982

IUPAC2-cyclohexylpyrrolidin-3-one
SMILESO=C1CCNC1C1CCCCC1
InChIInChI=1S/C10H17NO/c12-9-6-7-11-10(9)8-4-2-1-3-5-8/h8,10-11H,1-7H2
InChIKeyHWZAOWNWSCFTLH-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.50
Rot. Bonds1

About 2-cyclohexylpyrrolidin-3-one

2-cyclohexylpyrrolidin-3-one (PubChem CID 83826982) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-cyclohexylpyrrolidin-3-one.

Molecular Properties

Compound Name2-cyclohexylpyrrolidin-3-one
PubChem CID83826982
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-cyclohexylpyrrolidin-3-one
SMILESO=C1CCNC1C1CCCCC1
InChIInChI=1S/C10H17NO/c12-9-6-7-11-10(9)8-4-2-1-3-5-8/h8,10-11H,1-7H2
InChIKeyHWZAOWNWSCFTLH-UHFFFAOYSA-N
XLogP1.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 91480965
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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylpyrrolidin-3-one?
The IUPAC name of 2-cyclohexylpyrrolidin-3-one (CID 83826982) is 2-cyclohexylpyrrolidin-3-one.
What is the SMILES notation for 2-cyclohexylpyrrolidin-3-one?
The canonical SMILES for 2-cyclohexylpyrrolidin-3-one is O=C1CCNC1C1CCCCC1.
What is the InChIKey of 2-cyclohexylpyrrolidin-3-one?
The InChIKey is HWZAOWNWSCFTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c12-9-6-7-11-10(9)8-4-2-1-3-5-8/h8,10-11H,1-7H2.
What are the key properties of 2-cyclohexylpyrrolidin-3-one?
2-cyclohexylpyrrolidin-3-one has a molecular weight of 167.25 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylpyrrolidin-3-one is sourced from PubChem (CID 83826982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).