1-cyclohexyl-3-[(2-methoxyphenyl)methyl]pyrrolidin-2-one

C18H25NO2 — CID 11716195

IUPAC1-cyclohexyl-3-[(2-methoxyphenyl)methyl]pyrrolidin-2-one
SMILESCOc1ccccc1CC1CCN(C2CCCCC2)C1=O
InChIInChI=1S/C18H25NO2/c1-21-17-10-6-5-7-14(17)13-15-11-12-19(18(15)20)16-8-3-2-4-9-16/h5-7,10,15-16H,2-4,8-9,11-13H2,1H3
InChIKeySUGGGLXATXHJCZ-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.42
Rot. Bonds4

About 1-cyclohexyl-3-[(2-methoxyphenyl)methyl]pyrrolidin-2-one

1-cyclohexyl-3-[(2-methoxyphenyl)methyl]pyrrolidin-2-one (PubChem CID 11716195) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(2-methoxyphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclohexyl-3-[(2-methoxyphenyl)methyl]pyrrolidin-2-one
PubChem CID11716195
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name1-cyclohexyl-3-[(2-methoxyphenyl)methyl]pyrrolidin-2-one
SMILESCOc1ccccc1CC1CCN(C2CCCCC2)C1=O
InChIInChI=1S/C18H25NO2/c1-21-17-10-6-5-7-14(17)13-15-11-12-19(18(15)20)16-8-3-2-4-9-16/h5-7,10,15-16H,2-4,8-9,11-13H2,1H3
InChIKeySUGGGLXATXHJCZ-UHFFFAOYSA-N
XLogP3.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(2-methoxyphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 1-cyclohexyl-3-[(2-methoxyphenyl)methyl]pyrrolidin-2-one (CID 11716195) is 1-cyclohexyl-3-[(2-methoxyphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-cyclohexyl-3-[(2-methoxyphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-cyclohexyl-3-[(2-methoxyphenyl)methyl]pyrrolidin-2-one is COc1ccccc1CC1CCN(C2CCCCC2)C1=O.
What is the InChIKey of 1-cyclohexyl-3-[(2-methoxyphenyl)methyl]pyrrolidin-2-one?
The InChIKey is SUGGGLXATXHJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-21-17-10-6-5-7-14(17)13-15-11-12-19(18(15)20)16-8-3-2-4-9-16/h5-7,10,15-16H,2-4,8-9,11-13H2,1H3.
What are the key properties of 1-cyclohexyl-3-[(2-methoxyphenyl)methyl]pyrrolidin-2-one?
1-cyclohexyl-3-[(2-methoxyphenyl)methyl]pyrrolidin-2-one has a molecular weight of 287.40 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(2-methoxyphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 11716195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).