(E)-9-azido-2-methylnon-3-ene

C10H19N3 — CID 131980124

IUPAC(E)-9-azido-2-methylnon-3-ene
SMILESCC(C)/C=C/CCCCCN=[N+]=[N-]
InChIInChI=1S/C10H19N3/c1-10(2)8-6-4-3-5-7-9-12-13-11/h6,8,10H,3-5,7,9H2,1-2H3/b8-6+
InChIKeyNOIUOYVHRHBNTN-SOFGYWHQSA-N
MW181.28 g/mol
LogP4.07
Rot. Bonds7

About (E)-9-azido-2-methylnon-3-ene

(E)-9-azido-2-methylnon-3-ene (PubChem CID 131980124) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is (E)-9-azido-2-methylnon-3-ene.

Molecular Properties

Compound Name(E)-9-azido-2-methylnon-3-ene
PubChem CID131980124
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name(E)-9-azido-2-methylnon-3-ene
SMILESCC(C)/C=C/CCCCCN=[N+]=[N-]
InChIInChI=1S/C10H19N3/c1-10(2)8-6-4-3-5-7-9-12-13-11/h6,8,10H,3-5,7,9H2,1-2H3/b8-6+
InChIKeyNOIUOYVHRHBNTN-SOFGYWHQSA-N
XLogP4.07
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-9-azido-2-methylnon-3-ene?
The IUPAC name of (E)-9-azido-2-methylnon-3-ene (CID 131980124) is (E)-9-azido-2-methylnon-3-ene.
What is the SMILES notation for (E)-9-azido-2-methylnon-3-ene?
The canonical SMILES for (E)-9-azido-2-methylnon-3-ene is CC(C)/C=C/CCCCCN=[N+]=[N-].
What is the InChIKey of (E)-9-azido-2-methylnon-3-ene?
The InChIKey is NOIUOYVHRHBNTN-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H19N3/c1-10(2)8-6-4-3-5-7-9-12-13-11/h6,8,10H,3-5,7,9H2,1-2H3/b8-6+.
What are the key properties of (E)-9-azido-2-methylnon-3-ene?
(E)-9-azido-2-methylnon-3-ene has a molecular weight of 181.28 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-9-azido-2-methylnon-3-ene is sourced from PubChem (CID 131980124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).