4-(azidomethyl)-4-prop-2-enylhepta-1,6-diene

C11H17N3 — CID 164754125

IUPAC4-(azidomethyl)-4-prop-2-enylhepta-1,6-diene
SMILESC=CCC(CC=C)(CC=C)CN=[N+]=[N-]
InChIInChI=1S/C11H17N3/c1-4-7-11(8-5-2,9-6-3)10-13-14-12/h4-6H,1-3,7-10H2
InChIKeyZOQYGOSJURHIRZ-UHFFFAOYSA-N
MW191.28 g/mol
LogP4.01
Rot. Bonds8

About 4-(azidomethyl)-4-prop-2-enylhepta-1,6-diene

4-(azidomethyl)-4-prop-2-enylhepta-1,6-diene (PubChem CID 164754125) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 4-(azidomethyl)-4-prop-2-enylhepta-1,6-diene.

Molecular Properties

Compound Name4-(azidomethyl)-4-prop-2-enylhepta-1,6-diene
PubChem CID164754125
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name4-(azidomethyl)-4-prop-2-enylhepta-1,6-diene
SMILESC=CCC(CC=C)(CC=C)CN=[N+]=[N-]
InChIInChI=1S/C11H17N3/c1-4-7-11(8-5-2,9-6-3)10-13-14-12/h4-6H,1-3,7-10H2
InChIKeyZOQYGOSJURHIRZ-UHFFFAOYSA-N
XLogP4.01
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 54.01
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

4-Methyl-4-methylazo-1-pentene
CID 129741386
6-Azido-4,4-dimethylhex-1-ene
CID 59266469
3,3-Dimethylhex-5-enylimino(imino)azanium
CID 89136249
4-(Isocyanomethyl)-4-prop-2-enylhepta-1,6-diene
CID 164754123
7-Azido-4,4,6,6-tetramethylhept-1-ene
CID 173498315

Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)-4-prop-2-enylhepta-1,6-diene?
The IUPAC name of 4-(azidomethyl)-4-prop-2-enylhepta-1,6-diene (CID 164754125) is 4-(azidomethyl)-4-prop-2-enylhepta-1,6-diene.
What is the SMILES notation for 4-(azidomethyl)-4-prop-2-enylhepta-1,6-diene?
The canonical SMILES for 4-(azidomethyl)-4-prop-2-enylhepta-1,6-diene is C=CCC(CC=C)(CC=C)CN=[N+]=[N-].
What is the InChIKey of 4-(azidomethyl)-4-prop-2-enylhepta-1,6-diene?
The InChIKey is ZOQYGOSJURHIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-4-7-11(8-5-2,9-6-3)10-13-14-12/h4-6H,1-3,7-10H2.
What are the key properties of 4-(azidomethyl)-4-prop-2-enylhepta-1,6-diene?
4-(azidomethyl)-4-prop-2-enylhepta-1,6-diene has a molecular weight of 191.28 g/mol, XLogP of 4.01, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-4-prop-2-enylhepta-1,6-diene is sourced from PubChem (CID 164754125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).