N'-(3-cyano-5-phenyl-1H-pyrrol-2-yl)acetohydrazide

C13H12N4O — CID 42600456

IUPACN'-(3-cyano-5-phenyl-1H-pyrrol-2-yl)acetohydrazide
SMILESCC(=O)NNc1[nH]c(-c2ccccc2)cc1C#N
InChIInChI=1S/C13H12N4O/c1-9(18)16-17-13-11(8-14)7-12(15-13)10-5-3-2-4-6-10/h2-7,15,17H,1H3,(H,16,18)
InChIKeyIMCCLRGLBLUHSE-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.02
Rot. Bonds3

About N'-(3-cyano-5-phenyl-1H-pyrrol-2-yl)acetohydrazide

N'-(3-cyano-5-phenyl-1H-pyrrol-2-yl)acetohydrazide (PubChem CID 42600456) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is N'-(3-cyano-5-phenyl-1H-pyrrol-2-yl)acetohydrazide.

Molecular Properties

Compound NameN'-(3-cyano-5-phenyl-1H-pyrrol-2-yl)acetohydrazide
PubChem CID42600456
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC NameN'-(3-cyano-5-phenyl-1H-pyrrol-2-yl)acetohydrazide
SMILESCC(=O)NNc1[nH]c(-c2ccccc2)cc1C#N
InChIInChI=1S/C13H12N4O/c1-9(18)16-17-13-11(8-14)7-12(15-13)10-5-3-2-4-6-10/h2-7,15,17H,1H3,(H,16,18)
InChIKeyIMCCLRGLBLUHSE-UHFFFAOYSA-N
XLogP2.02
TPSA80.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(3-cyano-5-phenyl-1H-pyrrol-2-yl)acetohydrazide?
The IUPAC name of N'-(3-cyano-5-phenyl-1H-pyrrol-2-yl)acetohydrazide (CID 42600456) is N'-(3-cyano-5-phenyl-1H-pyrrol-2-yl)acetohydrazide.
What is the SMILES notation for N'-(3-cyano-5-phenyl-1H-pyrrol-2-yl)acetohydrazide?
The canonical SMILES for N'-(3-cyano-5-phenyl-1H-pyrrol-2-yl)acetohydrazide is CC(=O)NNc1[nH]c(-c2ccccc2)cc1C#N.
What is the InChIKey of N'-(3-cyano-5-phenyl-1H-pyrrol-2-yl)acetohydrazide?
The InChIKey is IMCCLRGLBLUHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-9(18)16-17-13-11(8-14)7-12(15-13)10-5-3-2-4-6-10/h2-7,15,17H,1H3,(H,16,18).
What are the key properties of N'-(3-cyano-5-phenyl-1H-pyrrol-2-yl)acetohydrazide?
N'-(3-cyano-5-phenyl-1H-pyrrol-2-yl)acetohydrazide has a molecular weight of 240.27 g/mol, XLogP of 2.02, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-cyano-5-phenyl-1H-pyrrol-2-yl)acetohydrazide is sourced from PubChem (CID 42600456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).