4-azido-2-methylpent-2-ene

C6H11N3 — CID 86080096

IUPAC4-azido-2-methylpent-2-ene
SMILESCC(C)=CC(C)N=[N+]=[N-]
InChIInChI=1S/C6H11N3/c1-5(2)4-6(3)8-9-7/h4,6H,1-3H3
InChIKeyAXJIFEVLZSKCBZ-UHFFFAOYSA-N
MW125.17 g/mol
LogP2.65
Rot. Bonds2

About 4-azido-2-methylpent-2-ene

4-azido-2-methylpent-2-ene (PubChem CID 86080096) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 4-azido-2-methylpent-2-ene.

Molecular Properties

Compound Name4-azido-2-methylpent-2-ene
PubChem CID86080096
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name4-azido-2-methylpent-2-ene
SMILESCC(C)=CC(C)N=[N+]=[N-]
InChIInChI=1S/C6H11N3/c1-5(2)4-6(3)8-9-7/h4,6H,1-3H3
InChIKeyAXJIFEVLZSKCBZ-UHFFFAOYSA-N
XLogP2.65
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

5-Azido-2-methylpent-2-ene
CID 21583071
4-Azido-3-fluoro-2-methylpent-2-ene
CID 90020535
(4S)-4-azido-3-fluoro-2-methylpent-2-ene
CID 90028298
(4R)-4-azido-3-fluoro-2-methylpent-2-ene
CID 118496601
(E)-4-azidopent-2-ene
CID 22628667
cis-3,6-Dimethyl-3,6-dihydropyridazine
CID 129856148
(E)-2-azidohept-3-ene
CID 134907885
(Z)-4-azidopent-2-ene
CID 134976023
3,6-Dimethyl-3,6-dihydropyridazine
CID 156024922
4-Ethylidene-3,5-dimethyl-3,5-dihydropyrazole
CID 21719238
(4Z)-4-ethylidene-3-methyl-3,5-dihydropyrazole
CID 21719239
6-Azido-2-methylhept-2-ene
CID 13512615

Frequently Asked Questions

What is the IUPAC name of 4-azido-2-methylpent-2-ene?
The IUPAC name of 4-azido-2-methylpent-2-ene (CID 86080096) is 4-azido-2-methylpent-2-ene.
What is the SMILES notation for 4-azido-2-methylpent-2-ene?
The canonical SMILES for 4-azido-2-methylpent-2-ene is CC(C)=CC(C)N=[N+]=[N-].
What is the InChIKey of 4-azido-2-methylpent-2-ene?
The InChIKey is AXJIFEVLZSKCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-5(2)4-6(3)8-9-7/h4,6H,1-3H3.
What are the key properties of 4-azido-2-methylpent-2-ene?
4-azido-2-methylpent-2-ene has a molecular weight of 125.17 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-2-methylpent-2-ene is sourced from PubChem (CID 86080096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).