(1-methylcyclohexa-2,4-dien-1-yl)hydrazine

C7H12N2 — CID 66545334

IUPAC(1-methylcyclohexa-2,4-dien-1-yl)hydrazine
SMILESCC1(NN)C=CC=CC1
InChIInChI=1S/C7H12N2/c1-7(9-8)5-3-2-4-6-7/h2-5,9H,6,8H2,1H3
InChIKeyBNPLEQIGVYNEPI-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.72
Rot. Bonds1

About (1-methylcyclohexa-2,4-dien-1-yl)hydrazine

(1-methylcyclohexa-2,4-dien-1-yl)hydrazine (PubChem CID 66545334) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (1-methylcyclohexa-2,4-dien-1-yl)hydrazine.

Molecular Properties

Compound Name(1-methylcyclohexa-2,4-dien-1-yl)hydrazine
PubChem CID66545334
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(1-methylcyclohexa-2,4-dien-1-yl)hydrazine
SMILESCC1(NN)C=CC=CC1
InChIInChI=1S/C7H12N2/c1-7(9-8)5-3-2-4-6-7/h2-5,9H,6,8H2,1H3
InChIKeyBNPLEQIGVYNEPI-UHFFFAOYSA-N
XLogP0.72
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 (1-methylcyclohexa-2,4-dien-1-yl)hydrazine?
The IUPAC name of (1-methylcyclohexa-2,4-dien-1-yl)hydrazine (CID 66545334) is (1-methylcyclohexa-2,4-dien-1-yl)hydrazine.
What is the SMILES notation for (1-methylcyclohexa-2,4-dien-1-yl)hydrazine?
The canonical SMILES for (1-methylcyclohexa-2,4-dien-1-yl)hydrazine is CC1(NN)C=CC=CC1.
What is the InChIKey of (1-methylcyclohexa-2,4-dien-1-yl)hydrazine?
The InChIKey is BNPLEQIGVYNEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-7(9-8)5-3-2-4-6-7/h2-5,9H,6,8H2,1H3.
What are the key properties of (1-methylcyclohexa-2,4-dien-1-yl)hydrazine?
(1-methylcyclohexa-2,4-dien-1-yl)hydrazine has a molecular weight of 124.19 g/mol, XLogP of 0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclohexa-2,4-dien-1-yl)hydrazine is sourced from PubChem (CID 66545334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).