1-cyclohexa-1,3-dien-1-yl-2-methylhydrazine

C7H12N2 — CID 59809513

IUPAC1-cyclohexa-1,3-dien-1-yl-2-methylhydrazine
SMILESCNNC1=CC=CCC1
InChIInChI=1S/C7H12N2/c1-8-9-7-5-3-2-4-6-7/h2-3,5,8-9H,4,6H2,1H3
InChIKeyPBYBGSOGNLWINO-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.94
Rot. Bonds2

About 1-cyclohexa-1,3-dien-1-yl-2-methylhydrazine

1-cyclohexa-1,3-dien-1-yl-2-methylhydrazine (PubChem CID 59809513) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 1-cyclohexa-1,3-dien-1-yl-2-methylhydrazine.

Molecular Properties

Compound Name1-cyclohexa-1,3-dien-1-yl-2-methylhydrazine
PubChem CID59809513
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name1-cyclohexa-1,3-dien-1-yl-2-methylhydrazine
SMILESCNNC1=CC=CCC1
InChIInChI=1S/C7H12N2/c1-8-9-7-5-3-2-4-6-7/h2-3,5,8-9H,4,6H2,1H3
InChIKeyPBYBGSOGNLWINO-UHFFFAOYSA-N
XLogP0.94
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 18331059
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CID 19049088
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CID 19049089
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CID 53843815
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CID 67177720
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CID 68016366
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CID 68099566

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,3-dien-1-yl-2-methylhydrazine?
The IUPAC name of 1-cyclohexa-1,3-dien-1-yl-2-methylhydrazine (CID 59809513) is 1-cyclohexa-1,3-dien-1-yl-2-methylhydrazine.
What is the SMILES notation for 1-cyclohexa-1,3-dien-1-yl-2-methylhydrazine?
The canonical SMILES for 1-cyclohexa-1,3-dien-1-yl-2-methylhydrazine is CNNC1=CC=CCC1.
What is the InChIKey of 1-cyclohexa-1,3-dien-1-yl-2-methylhydrazine?
The InChIKey is PBYBGSOGNLWINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-8-9-7-5-3-2-4-6-7/h2-3,5,8-9H,4,6H2,1H3.
What are the key properties of 1-cyclohexa-1,3-dien-1-yl-2-methylhydrazine?
1-cyclohexa-1,3-dien-1-yl-2-methylhydrazine has a molecular weight of 124.19 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,3-dien-1-yl-2-methylhydrazine is sourced from PubChem (CID 59809513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).