3-(4-methanehydrazonoylphenyl)benzonitrile

C14H11N3 — CID 168529651

IUPAC3-(4-methanehydrazonoylphenyl)benzonitrile
SMILESN#Cc1cccc(-c2ccc(C=NN)cc2)c1
InChIInChI=1S/C14H11N3/c15-9-12-2-1-3-14(8-12)13-6-4-11(5-7-13)10-17-16/h1-8,10H,16H2
InChIKeyIWIQMWBQESPWAL-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.52
Rot. Bonds2

About 3-(4-methanehydrazonoylphenyl)benzonitrile

3-(4-methanehydrazonoylphenyl)benzonitrile (PubChem CID 168529651) has the molecular formula C14H11N3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-(4-methanehydrazonoylphenyl)benzonitrile.

Molecular Properties

Compound Name3-(4-methanehydrazonoylphenyl)benzonitrile
PubChem CID168529651
Molecular FormulaC14H11N3
Molecular Weight221.26 g/mol
Exact Mass221.10
IUPAC Name3-(4-methanehydrazonoylphenyl)benzonitrile
SMILESN#Cc1cccc(-c2ccc(C=NN)cc2)c1
InChIInChI=1S/C14H11N3/c15-9-12-2-1-3-14(8-12)13-6-4-11(5-7-13)10-17-16/h1-8,10H,16H2
InChIKeyIWIQMWBQESPWAL-UHFFFAOYSA-N
XLogP2.52
TPSA62.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methanehydrazonoylphenyl)benzonitrile?
The IUPAC name of 3-(4-methanehydrazonoylphenyl)benzonitrile (CID 168529651) is 3-(4-methanehydrazonoylphenyl)benzonitrile.
What is the SMILES notation for 3-(4-methanehydrazonoylphenyl)benzonitrile?
The canonical SMILES for 3-(4-methanehydrazonoylphenyl)benzonitrile is N#Cc1cccc(-c2ccc(C=NN)cc2)c1.
What is the InChIKey of 3-(4-methanehydrazonoylphenyl)benzonitrile?
The InChIKey is IWIQMWBQESPWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3/c15-9-12-2-1-3-14(8-12)13-6-4-11(5-7-13)10-17-16/h1-8,10H,16H2.
What are the key properties of 3-(4-methanehydrazonoylphenyl)benzonitrile?
3-(4-methanehydrazonoylphenyl)benzonitrile has a molecular weight of 221.26 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methanehydrazonoylphenyl)benzonitrile is sourced from PubChem (CID 168529651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).