2-azidododec-1-ene

C12H23N3 — CID 150968655

IUPAC2-azidododec-1-ene
SMILESC=C(CCCCCCCCCC)N=[N+]=[N-]
InChIInChI=1S/C12H23N3/c1-3-4-5-6-7-8-9-10-11-12(2)14-15-13/h2-11H2,1H3
InChIKeyLNQFJKCLWBSVNT-UHFFFAOYSA-N
MW209.34 g/mol
LogP5.34
Rot. Bonds10

About 2-azidododec-1-ene

2-azidododec-1-ene (PubChem CID 150968655) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 2-azidododec-1-ene.

Molecular Properties

Compound Name2-azidododec-1-ene
PubChem CID150968655
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name2-azidododec-1-ene
SMILESC=C(CCCCCCCCCC)N=[N+]=[N-]
InChIInChI=1S/C12H23N3/c1-3-4-5-6-7-8-9-10-11-12(2)14-15-13/h2-11H2,1H3
InChIKeyLNQFJKCLWBSVNT-UHFFFAOYSA-N
XLogP5.34
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500209.34
LogP ≤ 55.34
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

6-methylidenedodecane
CID 21453027
henicos-1-en-2-ol
CID 90735098
6-methylidenetetradecane
CID 21477883
19-methylideneheptatriacontane;titanium
CID 174477367
2-methyltetradec-1-ene
CID 521375
dodec-1-en-2-yl(trimethyl)germane
CID 10265928
ethane;2-methyloct-1-ene
CID 143077596
2-bromotetradec-1-ene
CID 2757183
1-azidotriacontane
CID 71752669
4-methylidenenonadecane
CID 139983203
4-methylidenetricosane
CID 139983205
1-azidohexadecane
CID 11230945

Frequently Asked Questions

What is the IUPAC name of 2-azidododec-1-ene?
The IUPAC name of 2-azidododec-1-ene (CID 150968655) is 2-azidododec-1-ene.
What is the SMILES notation for 2-azidododec-1-ene?
The canonical SMILES for 2-azidododec-1-ene is C=C(CCCCCCCCCC)N=[N+]=[N-].
What is the InChIKey of 2-azidododec-1-ene?
The InChIKey is LNQFJKCLWBSVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-3-4-5-6-7-8-9-10-11-12(2)14-15-13/h2-11H2,1H3.
What are the key properties of 2-azidododec-1-ene?
2-azidododec-1-ene has a molecular weight of 209.34 g/mol, XLogP of 5.34, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azidododec-1-ene is sourced from PubChem (CID 150968655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).