4-methanehydrazonoyl-2-methylbenzonitrile

C9H9N3 — CID 168529206

IUPAC4-methanehydrazonoyl-2-methylbenzonitrile
SMILESCc1cc(C=NN)ccc1C#N
InChIInChI=1S/C9H9N3/c1-7-4-8(6-12-11)2-3-9(7)5-10/h2-4,6H,11H2,1H3
InChIKeyTUTITWSQQQASQV-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.16
Rot. Bonds1

About 4-methanehydrazonoyl-2-methylbenzonitrile

4-methanehydrazonoyl-2-methylbenzonitrile (PubChem CID 168529206) has the molecular formula C9H9N3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 4-methanehydrazonoyl-2-methylbenzonitrile.

Molecular Properties

Compound Name4-methanehydrazonoyl-2-methylbenzonitrile
PubChem CID168529206
Molecular FormulaC9H9N3
Molecular Weight159.19 g/mol
Exact Mass159.08
IUPAC Name4-methanehydrazonoyl-2-methylbenzonitrile
SMILESCc1cc(C=NN)ccc1C#N
InChIInChI=1S/C9H9N3/c1-7-4-8(6-12-11)2-3-9(7)5-10/h2-4,6H,11H2,1H3
InChIKeyTUTITWSQQQASQV-UHFFFAOYSA-N
XLogP1.16
TPSA62.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.16
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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Related Compounds

4-(2-cyanoethenyl)-2-methylbenzonitrile
CID 169483493
4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-methylbenzonitrile
CID 58915445
3-methanehydrazonoyl-2-methylbenzonitrile
CID 168529204
2-methyl-4-[(E)-2-piperidin-1-ylethenyl]benzonitrile
CID 89445469
2-chloro-4-(hydroxyiminomethyl)benzonitrile
CID 73410963
(3-methyl-4-propoxyphenyl)methylidenehydrazine
CID 168529274
2-fluoro-4-[(E)-[(E)-(4-methylphenyl)methylidenehydrazinylidene]methyl]benzonitrile
CID 19368912
4-cyano-3-methylbenzenecarbothioamide
CID 91875267
4-(4-aminophenyl)-2-methylbenzonitrile
CID 142273516
4-hydrazinyl-2-methylbenzonitrile;hydrochloride
CID 46915033
tert-butyl 3-(4-cyano-3-methylphenyl)prop-2-enoate
CID 68649265
4-(4-methanehydrazonoyl-N-methylanilino)benzonitrile
CID 168530991

Frequently Asked Questions

What is the IUPAC name of 4-methanehydrazonoyl-2-methylbenzonitrile?
The IUPAC name of 4-methanehydrazonoyl-2-methylbenzonitrile (CID 168529206) is 4-methanehydrazonoyl-2-methylbenzonitrile.
What is the SMILES notation for 4-methanehydrazonoyl-2-methylbenzonitrile?
The canonical SMILES for 4-methanehydrazonoyl-2-methylbenzonitrile is Cc1cc(C=NN)ccc1C#N.
What is the InChIKey of 4-methanehydrazonoyl-2-methylbenzonitrile?
The InChIKey is TUTITWSQQQASQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3/c1-7-4-8(6-12-11)2-3-9(7)5-10/h2-4,6H,11H2,1H3.
What are the key properties of 4-methanehydrazonoyl-2-methylbenzonitrile?
4-methanehydrazonoyl-2-methylbenzonitrile has a molecular weight of 159.19 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methanehydrazonoyl-2-methylbenzonitrile is sourced from PubChem (CID 168529206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).