4-(5-cyclopentyloxy-4-methoxycyclohexa-2,4-dien-1-yl)pyrrolidin-2-one

C16H23NO3 — CID 149087074

IUPAC4-(5-cyclopentyloxy-4-methoxycyclohexa-2,4-dien-1-yl)pyrrolidin-2-one
SMILESCOC1=C(OC2CCCC2)CC(C2CNC(=O)C2)C=C1
InChIInChI=1S/C16H23NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-7,11-13H,2-5,8-10H2,1H3,(H,17,18)
InChIKeyQRLQPZPYUCRLCW-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.52
Rot. Bonds4

About 4-(5-cyclopentyloxy-4-methoxycyclohexa-2,4-dien-1-yl)pyrrolidin-2-one

4-(5-cyclopentyloxy-4-methoxycyclohexa-2,4-dien-1-yl)pyrrolidin-2-one (PubChem CID 149087074) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 4-(5-cyclopentyloxy-4-methoxycyclohexa-2,4-dien-1-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(5-cyclopentyloxy-4-methoxycyclohexa-2,4-dien-1-yl)pyrrolidin-2-one
PubChem CID149087074
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name4-(5-cyclopentyloxy-4-methoxycyclohexa-2,4-dien-1-yl)pyrrolidin-2-one
SMILESCOC1=C(OC2CCCC2)CC(C2CNC(=O)C2)C=C1
InChIInChI=1S/C16H23NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-7,11-13H,2-5,8-10H2,1H3,(H,17,18)
InChIKeyQRLQPZPYUCRLCW-UHFFFAOYSA-N
XLogP2.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(5-cyclopentyloxy-4-methoxycyclohexa-2,4-dien-1-yl)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-(5-cyclopentyloxy-4-methoxycyclohexa-2,4-dien-1-yl)pyrrolidin-2-one?
The IUPAC name of 4-(5-cyclopentyloxy-4-methoxycyclohexa-2,4-dien-1-yl)pyrrolidin-2-one (CID 149087074) is 4-(5-cyclopentyloxy-4-methoxycyclohexa-2,4-dien-1-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(5-cyclopentyloxy-4-methoxycyclohexa-2,4-dien-1-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(5-cyclopentyloxy-4-methoxycyclohexa-2,4-dien-1-yl)pyrrolidin-2-one is COC1=C(OC2CCCC2)CC(C2CNC(=O)C2)C=C1.
What is the InChIKey of 4-(5-cyclopentyloxy-4-methoxycyclohexa-2,4-dien-1-yl)pyrrolidin-2-one?
The InChIKey is QRLQPZPYUCRLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-7,11-13H,2-5,8-10H2,1H3,(H,17,18).
What are the key properties of 4-(5-cyclopentyloxy-4-methoxycyclohexa-2,4-dien-1-yl)pyrrolidin-2-one?
4-(5-cyclopentyloxy-4-methoxycyclohexa-2,4-dien-1-yl)pyrrolidin-2-one has a molecular weight of 277.36 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopentyloxy-4-methoxycyclohexa-2,4-dien-1-yl)pyrrolidin-2-one is sourced from PubChem (CID 149087074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).