3-methanehydrazonoyl-2-methylbenzonitrile

C9H9N3 — CID 168529204

IUPAC3-methanehydrazonoyl-2-methylbenzonitrile
SMILESCc1c(C#N)cccc1C=NN
InChIInChI=1S/C9H9N3/c1-7-8(5-10)3-2-4-9(7)6-12-11/h2-4,6H,11H2,1H3
InChIKeyRIOJAOCQACQQHH-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.16
Rot. Bonds1

About 3-methanehydrazonoyl-2-methylbenzonitrile

3-methanehydrazonoyl-2-methylbenzonitrile (PubChem CID 168529204) has the molecular formula C9H9N3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 3-methanehydrazonoyl-2-methylbenzonitrile.

Molecular Properties

Compound Name3-methanehydrazonoyl-2-methylbenzonitrile
PubChem CID168529204
Molecular FormulaC9H9N3
Molecular Weight159.19 g/mol
Exact Mass159.08
IUPAC Name3-methanehydrazonoyl-2-methylbenzonitrile
SMILESCc1c(C#N)cccc1C=NN
InChIInChI=1S/C9H9N3/c1-7-8(5-10)3-2-4-9(7)6-12-11/h2-4,6H,11H2,1H3
InChIKeyRIOJAOCQACQQHH-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

2-methyl-3-[3-(methylamino)prop-1-enyl]benzonitrile
CID 169473633
(E)-(2-methylphenyl)methylidenehydrazine
CID 22712356
2-(3-cyano-2-methylphenyl)guanidine
CID 174548760
4-methanehydrazonoyl-2-methylbenzonitrile
CID 168529206
3-(aminomethyl)-2-methylbenzonitrile
CID 67666670
3-methylbenzene-1,2,4-tricarbonitrile
CID 54234334
3-[(1E,3Z)-2-ethenyl-3-methylhexa-1,3-dienyl]-2-methylbenzonitrile
CID 166682790
2-[[2-[(2-cyanophenyl)methylideneamino]phenyl]iminomethyl]benzonitrile
CID 67428340
3-methyl-2-(4-methylsulfonylphenyl)benzonitrile
CID 172915356
3-(2-cyano-6-methylphenyl)prop-2-enamide
CID 169481801
1,3-bis[(E)-(2-cyanophenyl)methylideneamino]thiourea
CID 131998213
3-[(1S)-1-amino-2-cyanoethyl]-2-methylbenzonitrile
CID 130969797

Frequently Asked Questions

What is the IUPAC name of 3-methanehydrazonoyl-2-methylbenzonitrile?
The IUPAC name of 3-methanehydrazonoyl-2-methylbenzonitrile (CID 168529204) is 3-methanehydrazonoyl-2-methylbenzonitrile.
What is the SMILES notation for 3-methanehydrazonoyl-2-methylbenzonitrile?
The canonical SMILES for 3-methanehydrazonoyl-2-methylbenzonitrile is Cc1c(C#N)cccc1C=NN.
What is the InChIKey of 3-methanehydrazonoyl-2-methylbenzonitrile?
The InChIKey is RIOJAOCQACQQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3/c1-7-8(5-10)3-2-4-9(7)6-12-11/h2-4,6H,11H2,1H3.
What are the key properties of 3-methanehydrazonoyl-2-methylbenzonitrile?
3-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 3-methanehydrazonoyl-2-methylbenzonitrile is sourced from PubChem (CID 168529204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).