2-amino-5-butanoyl-4-hydroxybenzonitrile

C11H12N2O2 — CID 14175572

IUPAC2-amino-5-butanoyl-4-hydroxybenzonitrile
SMILESCCCC(=O)c1cc(C#N)c(N)cc1O
InChIInChI=1S/C11H12N2O2/c1-2-3-10(14)8-4-7(6-12)9(13)5-11(8)15/h4-5,15H,2-3,13H2,1H3
InChIKeyIDQRKYHCQDQQPI-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.83
Rot. Bonds3

About 2-amino-5-butanoyl-4-hydroxybenzonitrile

2-amino-5-butanoyl-4-hydroxybenzonitrile (PubChem CID 14175572) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-amino-5-butanoyl-4-hydroxybenzonitrile.

Molecular Properties

Compound Name2-amino-5-butanoyl-4-hydroxybenzonitrile
PubChem CID14175572
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-amino-5-butanoyl-4-hydroxybenzonitrile
SMILESCCCC(=O)c1cc(C#N)c(N)cc1O
InChIInChI=1S/C11H12N2O2/c1-2-3-10(14)8-4-7(6-12)9(13)5-11(8)15/h4-5,15H,2-3,13H2,1H3
InChIKeyIDQRKYHCQDQQPI-UHFFFAOYSA-N
XLogP1.83
TPSA87.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-5-butanoyl-4-hydroxybenzonitrile 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 2-amino-5-butanoyl-4-hydroxybenzonitrile?
The IUPAC name of 2-amino-5-butanoyl-4-hydroxybenzonitrile (CID 14175572) is 2-amino-5-butanoyl-4-hydroxybenzonitrile.
What is the SMILES notation for 2-amino-5-butanoyl-4-hydroxybenzonitrile?
The canonical SMILES for 2-amino-5-butanoyl-4-hydroxybenzonitrile is CCCC(=O)c1cc(C#N)c(N)cc1O.
What is the InChIKey of 2-amino-5-butanoyl-4-hydroxybenzonitrile?
The InChIKey is IDQRKYHCQDQQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-2-3-10(14)8-4-7(6-12)9(13)5-11(8)15/h4-5,15H,2-3,13H2,1H3.
What are the key properties of 2-amino-5-butanoyl-4-hydroxybenzonitrile?
2-amino-5-butanoyl-4-hydroxybenzonitrile has a molecular weight of 204.23 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-butanoyl-4-hydroxybenzonitrile is sourced from PubChem (CID 14175572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).