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

C11H19NO2 — CID 126990628

IUPAC4-(1-methoxycyclohexyl)pyrrolidin-2-one
SMILESCOC1(C2CNC(=O)C2)CCCCC1
InChIInChI=1S/C11H19NO2/c1-14-11(5-3-2-4-6-11)9-7-10(13)12-8-9/h9H,2-8H2,1H3,(H,12,13)
InChIKeyGHJJTSFQNDHDGY-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.47
Rot. Bonds2

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

4-(1-methoxycyclohexyl)pyrrolidin-2-one (PubChem CID 126990628) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-(1-methoxycyclohexyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(1-methoxycyclohexyl)pyrrolidin-2-one
PubChem CID126990628
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name4-(1-methoxycyclohexyl)pyrrolidin-2-one
SMILESCOC1(C2CNC(=O)C2)CCCCC1
InChIInChI=1S/C11H19NO2/c1-14-11(5-3-2-4-6-11)9-7-10(13)12-8-9/h9H,2-8H2,1H3,(H,12,13)
InChIKeyGHJJTSFQNDHDGY-UHFFFAOYSA-N
XLogP1.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(1-methoxycyclohexyl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1-methoxycyclohexyl)pyrrolidin-2-one?
The IUPAC name of 4-(1-methoxycyclohexyl)pyrrolidin-2-one (CID 126990628) is 4-(1-methoxycyclohexyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(1-methoxycyclohexyl)pyrrolidin-2-one?
The canonical SMILES for 4-(1-methoxycyclohexyl)pyrrolidin-2-one is COC1(C2CNC(=O)C2)CCCCC1.
What is the InChIKey of 4-(1-methoxycyclohexyl)pyrrolidin-2-one?
The InChIKey is GHJJTSFQNDHDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-14-11(5-3-2-4-6-11)9-7-10(13)12-8-9/h9H,2-8H2,1H3,(H,12,13).
What are the key properties of 4-(1-methoxycyclohexyl)pyrrolidin-2-one?
4-(1-methoxycyclohexyl)pyrrolidin-2-one has a molecular weight of 197.28 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxycyclohexyl)pyrrolidin-2-one is sourced from PubChem (CID 126990628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).