4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(4-diethoxyphosphorylbut-2-enyl)pyrrolidin-2-one

C24H36NO6P — CID 72568143

IUPAC4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(4-diethoxyphosphorylbut-2-enyl)pyrrolidin-2-one
SMILESCCOP(=O)(CC=CCN1CC(c2ccc(OC)c(OC3CCCC3)c2)CC1=O)OCC
InChIInChI=1S/C24H36NO6P/c1-4-29-32(27,30-5-2)15-9-8-14-25-18-20(17-24(25)26)19-12-13-22(28-3)23(16-19)31-21-10-6-7-11-21/h8-9,12-13,16,20-21H,4-7,10-11,14-15,17-18H2,1-3H3
InChIKeyQWPDEHFNSKDUQO-UHFFFAOYSA-N
MW465.53 g/mol
LogP5.15
Rot. Bonds12

About 4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(4-diethoxyphosphorylbut-2-enyl)pyrrolidin-2-one

4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(4-diethoxyphosphorylbut-2-enyl)pyrrolidin-2-one (PubChem CID 72568143) has the molecular formula C24H36NO6P and a molecular weight of 465.53 g/mol. Its IUPAC name is 4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(4-diethoxyphosphorylbut-2-enyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(4-diethoxyphosphorylbut-2-enyl)pyrrolidin-2-one
PubChem CID72568143
Molecular FormulaC24H36NO6P
Molecular Weight465.53 g/mol
Exact Mass465.23
IUPAC Name4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(4-diethoxyphosphorylbut-2-enyl)pyrrolidin-2-one
SMILESCCOP(=O)(CC=CCN1CC(c2ccc(OC)c(OC3CCCC3)c2)CC1=O)OCC
InChIInChI=1S/C24H36NO6P/c1-4-29-32(27,30-5-2)15-9-8-14-25-18-20(17-24(25)26)19-12-13-22(28-3)23(16-19)31-21-10-6-7-11-21/h8-9,12-13,16,20-21H,4-7,10-11,14-15,17-18H2,1-3H3
InChIKeyQWPDEHFNSKDUQO-UHFFFAOYSA-N
XLogP5.15
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.53
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-butyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
CID 23614663
2-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetyl chloride
CID 23614685
(4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpyrrolidin-2-one
CID 53237242
4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one
CID 54134810
(4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(2-methylphenyl)methyl]pyrrolidin-2-one
CID 10271091
(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(3-fluorophenyl)methyl]pyrrolidin-2-one
CID 10293339
(4S)-1-[(3-chlorophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
CID 10200965
(4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-one
CID 10111656
N-[4-[[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]methyl]phenyl]methanesulfonamide
CID 70067204
(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
CID 10224810
4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 10619838
(4R)-1-[(2-chloro-4-fluorophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
CID 10273482

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(4-diethoxyphosphorylbut-2-enyl)pyrrolidin-2-one?
The IUPAC name of 4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(4-diethoxyphosphorylbut-2-enyl)pyrrolidin-2-one (CID 72568143) is 4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(4-diethoxyphosphorylbut-2-enyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(4-diethoxyphosphorylbut-2-enyl)pyrrolidin-2-one?
The canonical SMILES for 4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(4-diethoxyphosphorylbut-2-enyl)pyrrolidin-2-one is CCOP(=O)(CC=CCN1CC(c2ccc(OC)c(OC3CCCC3)c2)CC1=O)OCC.
What is the InChIKey of 4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(4-diethoxyphosphorylbut-2-enyl)pyrrolidin-2-one?
The InChIKey is QWPDEHFNSKDUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36NO6P/c1-4-29-32(27,30-5-2)15-9-8-14-25-18-20(17-24(25)26)19-12-13-22(28-3)23(16-19)31-21-10-6-7-11-21/h8-9,12-13,16,20-21H,4-7,10-11,14-15,17-18H2,1-3H3.
What are the key properties of 4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(4-diethoxyphosphorylbut-2-enyl)pyrrolidin-2-one?
4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(4-diethoxyphosphorylbut-2-enyl)pyrrolidin-2-one has a molecular weight of 465.53 g/mol, XLogP of 5.15, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(4-diethoxyphosphorylbut-2-enyl)pyrrolidin-2-one is sourced from PubChem (CID 72568143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).