1-(4-hydroxy-2-methylbenzoyl)pyrrolidine-2-carbonitrile

C13H14N2O2 — CID 107671433

IUPAC1-(4-hydroxy-2-methylbenzoyl)pyrrolidine-2-carbonitrile
SMILESCc1cc(O)ccc1C(=O)N1CCCC1C#N
InChIInChI=1S/C13H14N2O2/c1-9-7-11(16)4-5-12(9)13(17)15-6-2-3-10(15)8-14/h4-5,7,10,16H,2-3,6H2,1H3
InChIKeyWDLOPGZLVUXTRE-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.83
Rot. Bonds1

About 1-(4-hydroxy-2-methylbenzoyl)pyrrolidine-2-carbonitrile

1-(4-hydroxy-2-methylbenzoyl)pyrrolidine-2-carbonitrile (PubChem CID 107671433) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-(4-hydroxy-2-methylbenzoyl)pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name1-(4-hydroxy-2-methylbenzoyl)pyrrolidine-2-carbonitrile
PubChem CID107671433
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name1-(4-hydroxy-2-methylbenzoyl)pyrrolidine-2-carbonitrile
SMILESCc1cc(O)ccc1C(=O)N1CCCC1C#N
InChIInChI=1S/C13H14N2O2/c1-9-7-11(16)4-5-12(9)13(17)15-6-2-3-10(15)8-14/h4-5,7,10,16H,2-3,6H2,1H3
InChIKeyWDLOPGZLVUXTRE-UHFFFAOYSA-N
XLogP1.83
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-hydroxy-2-methylbenzoyl)pyrrolidine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-fluoro-2-methylbenzoyl)pyrrolidine-2-carbonitrile
CID 113399970
1-(2-chloro-5-hydroxybenzoyl)piperidine-2-carbonitrile
CID 106501014
1-(5-bromo-2-hydroxybenzoyl)pyrrolidine-2-carbonitrile
CID 107729572
1-(4-fluoro-2-iodobenzoyl)pyrrolidine-2-carbonitrile
CID 114029268
1-(2,3,4-trifluorobenzoyl)pyrrolidine-2-carbonitrile
CID 79016668
1-(4-bromo-2-methoxybenzoyl)pyrrolidine-2-carbonitrile
CID 115369074
(4-hydroxy-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 103863645
1-(3-chloro-5-methylbenzoyl)pyrrolidine-2-carbonitrile
CID 81323643
1-(6-bromonaphthalene-2-carbonyl)pyrrolidine-2-carbonitrile
CID 115353850
1-(2-fluoro-4-hydroxybenzoyl)-4-methylpiperazine-2-carbonitrile
CID 86802119
(4-hydroxy-2-methylphenyl)-(3-methoxypiperidin-1-yl)methanone
CID 103865425
[3-(dimethylamino)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
CID 103863767

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2-methylbenzoyl)pyrrolidine-2-carbonitrile?
The IUPAC name of 1-(4-hydroxy-2-methylbenzoyl)pyrrolidine-2-carbonitrile (CID 107671433) is 1-(4-hydroxy-2-methylbenzoyl)pyrrolidine-2-carbonitrile.
What is the SMILES notation for 1-(4-hydroxy-2-methylbenzoyl)pyrrolidine-2-carbonitrile?
The canonical SMILES for 1-(4-hydroxy-2-methylbenzoyl)pyrrolidine-2-carbonitrile is Cc1cc(O)ccc1C(=O)N1CCCC1C#N.
What is the InChIKey of 1-(4-hydroxy-2-methylbenzoyl)pyrrolidine-2-carbonitrile?
The InChIKey is WDLOPGZLVUXTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9-7-11(16)4-5-12(9)13(17)15-6-2-3-10(15)8-14/h4-5,7,10,16H,2-3,6H2,1H3.
What are the key properties of 1-(4-hydroxy-2-methylbenzoyl)pyrrolidine-2-carbonitrile?
1-(4-hydroxy-2-methylbenzoyl)pyrrolidine-2-carbonitrile has a molecular weight of 230.27 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2-methylbenzoyl)pyrrolidine-2-carbonitrile is sourced from PubChem (CID 107671433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).