4-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]benzonitrile

C23H24N2O3 — CID 10045073

IUPAC4-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]benzonitrile
SMILESCOc1ccc([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)cc1OC1CCCC1
InChIInChI=1S/C23H24N2O3/c1-27-21-11-8-17(12-22(21)28-20-4-2-3-5-20)18-13-23(26)25(15-18)19-9-6-16(14-24)7-10-19/h6-12,18,20H,2-5,13,15H2,1H3/t18-/m0/s1
InChIKeyOYXKYJQUFFYJNT-SFHVURJKSA-N
MW376.46 g/mol
LogP4.41
Rot. Bonds5

About 4-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]benzonitrile

4-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]benzonitrile (PubChem CID 10045073) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]benzonitrile.

Molecular Properties

Compound Name4-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]benzonitrile
PubChem CID10045073
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name4-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]benzonitrile
SMILESCOc1ccc([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)cc1OC1CCCC1
InChIInChI=1S/C23H24N2O3/c1-27-21-11-8-17(12-22(21)28-20-4-2-3-5-20)18-13-23(26)25(15-18)19-9-6-16(14-24)7-10-19/h6-12,18,20H,2-5,13,15H2,1H3/t18-/m0/s1
InChIKeyOYXKYJQUFFYJNT-SFHVURJKSA-N
XLogP4.41
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]benzonitrile?
The IUPAC name of 4-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]benzonitrile (CID 10045073) is 4-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]benzonitrile.
What is the SMILES notation for 4-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]benzonitrile?
The canonical SMILES for 4-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]benzonitrile is COc1ccc([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)cc1OC1CCCC1.
What is the InChIKey of 4-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]benzonitrile?
The InChIKey is OYXKYJQUFFYJNT-SFHVURJKSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-27-21-11-8-17(12-22(21)28-20-4-2-3-5-20)18-13-23(26)25(15-18)19-9-6-16(14-24)7-10-19/h6-12,18,20H,2-5,13,15H2,1H3/t18-/m0/s1.
What are the key properties of 4-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]benzonitrile?
4-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]benzonitrile has a molecular weight of 376.46 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]benzonitrile is sourced from PubChem (CID 10045073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).