methyl-[(Z)-4-methylpent-2-en-3-yl]diazene

C7H14N2 — CID 134300045

IUPACmethyl-[(Z)-4-methylpent-2-en-3-yl]diazene
SMILESC/C=C(\N=N\C)C(C)C
InChIInChI=1S/C7H14N2/c1-5-7(6(2)3)9-8-4/h5-6H,1-4H3/b7-5-,9-8+
InChIKeyORQJHMYEJRMHIS-SUHGFZJFSA-N
MW126.20 g/mol
LogP2.63
Rot. Bonds2

About methyl-[(Z)-4-methylpent-2-en-3-yl]diazene

methyl-[(Z)-4-methylpent-2-en-3-yl]diazene (PubChem CID 134300045) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is methyl-[(Z)-4-methylpent-2-en-3-yl]diazene.

Molecular Properties

Compound Namemethyl-[(Z)-4-methylpent-2-en-3-yl]diazene
PubChem CID134300045
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Namemethyl-[(Z)-4-methylpent-2-en-3-yl]diazene
SMILESC/C=C(\N=N\C)C(C)C
InChIInChI=1S/C7H14N2/c1-5-7(6(2)3)9-8-4/h5-6H,1-4H3/b7-5-,9-8+
InChIKeyORQJHMYEJRMHIS-SUHGFZJFSA-N
XLogP2.63
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl-[(Z)-4-methylpent-2-en-3-yl]diazene?
The IUPAC name of methyl-[(Z)-4-methylpent-2-en-3-yl]diazene (CID 134300045) is methyl-[(Z)-4-methylpent-2-en-3-yl]diazene.
What is the SMILES notation for methyl-[(Z)-4-methylpent-2-en-3-yl]diazene?
The canonical SMILES for methyl-[(Z)-4-methylpent-2-en-3-yl]diazene is C/C=C(\N=N\C)C(C)C.
What is the InChIKey of methyl-[(Z)-4-methylpent-2-en-3-yl]diazene?
The InChIKey is ORQJHMYEJRMHIS-SUHGFZJFSA-N. The full InChI is InChI=1S/C7H14N2/c1-5-7(6(2)3)9-8-4/h5-6H,1-4H3/b7-5-,9-8+.
What are the key properties of methyl-[(Z)-4-methylpent-2-en-3-yl]diazene?
methyl-[(Z)-4-methylpent-2-en-3-yl]diazene has a molecular weight of 126.20 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(Z)-4-methylpent-2-en-3-yl]diazene is sourced from PubChem (CID 134300045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).