(2S)-1-[(1R)-2-(4-phenylbutanoyl)cyclopent-2-ene-1-carbonyl]pyrrolidine-2-carbonitrile

C21H24N2O2 — CID 11244606

IUPAC(2S)-1-[(1R)-2-(4-phenylbutanoyl)cyclopent-2-ene-1-carbonyl]pyrrolidine-2-carbonitrile
SMILESN#C[C@@H]1CCCN1C(=O)[C@@H]1CCC=C1C(=O)CCCc1ccccc1
InChIInChI=1S/C21H24N2O2/c22-15-17-10-6-14-23(17)21(25)19-12-5-11-18(19)20(24)13-4-9-16-7-2-1-3-8-16/h1-3,7-8,11,17,19H,4-6,9-10,12-14H2/t17-,19+/m0/s1
InChIKeyCQOGRJBEZFMVTP-PKOBYXMFSA-N
MW336.44 g/mol
LogP3.43
Rot. Bonds6

About (2S)-1-[(1R)-2-(4-phenylbutanoyl)cyclopent-2-ene-1-carbonyl]pyrrolidine-2-carbonitrile

(2S)-1-[(1R)-2-(4-phenylbutanoyl)cyclopent-2-ene-1-carbonyl]pyrrolidine-2-carbonitrile (PubChem CID 11244606) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is (2S)-1-[(1R)-2-(4-phenylbutanoyl)cyclopent-2-ene-1-carbonyl]pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name(2S)-1-[(1R)-2-(4-phenylbutanoyl)cyclopent-2-ene-1-carbonyl]pyrrolidine-2-carbonitrile
PubChem CID11244606
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name(2S)-1-[(1R)-2-(4-phenylbutanoyl)cyclopent-2-ene-1-carbonyl]pyrrolidine-2-carbonitrile
SMILESN#C[C@@H]1CCCN1C(=O)[C@@H]1CCC=C1C(=O)CCCc1ccccc1
InChIInChI=1S/C21H24N2O2/c22-15-17-10-6-14-23(17)21(25)19-12-5-11-18(19)20(24)13-4-9-16-7-2-1-3-8-16/h1-3,7-8,11,17,19H,4-6,9-10,12-14H2/t17-,19+/m0/s1
InChIKeyCQOGRJBEZFMVTP-PKOBYXMFSA-N
XLogP3.43
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(1R)-2-(4-phenylbutanoyl)cyclopent-2-ene-1-carbonyl]pyrrolidine-2-carbonitrile?
The IUPAC name of (2S)-1-[(1R)-2-(4-phenylbutanoyl)cyclopent-2-ene-1-carbonyl]pyrrolidine-2-carbonitrile (CID 11244606) is (2S)-1-[(1R)-2-(4-phenylbutanoyl)cyclopent-2-ene-1-carbonyl]pyrrolidine-2-carbonitrile.
What is the SMILES notation for (2S)-1-[(1R)-2-(4-phenylbutanoyl)cyclopent-2-ene-1-carbonyl]pyrrolidine-2-carbonitrile?
The canonical SMILES for (2S)-1-[(1R)-2-(4-phenylbutanoyl)cyclopent-2-ene-1-carbonyl]pyrrolidine-2-carbonitrile is N#C[C@@H]1CCCN1C(=O)[C@@H]1CCC=C1C(=O)CCCc1ccccc1.
What is the InChIKey of (2S)-1-[(1R)-2-(4-phenylbutanoyl)cyclopent-2-ene-1-carbonyl]pyrrolidine-2-carbonitrile?
The InChIKey is CQOGRJBEZFMVTP-PKOBYXMFSA-N. The full InChI is InChI=1S/C21H24N2O2/c22-15-17-10-6-14-23(17)21(25)19-12-5-11-18(19)20(24)13-4-9-16-7-2-1-3-8-16/h1-3,7-8,11,17,19H,4-6,9-10,12-14H2/t17-,19+/m0/s1.
What are the key properties of (2S)-1-[(1R)-2-(4-phenylbutanoyl)cyclopent-2-ene-1-carbonyl]pyrrolidine-2-carbonitrile?
(2S)-1-[(1R)-2-(4-phenylbutanoyl)cyclopent-2-ene-1-carbonyl]pyrrolidine-2-carbonitrile has a molecular weight of 336.44 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(1R)-2-(4-phenylbutanoyl)cyclopent-2-ene-1-carbonyl]pyrrolidine-2-carbonitrile is sourced from PubChem (CID 11244606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).