1-azidododec-11-ene-2,10-dione

C12H19N3O2 — CID 167561319

IUPAC1-azidododec-11-ene-2,10-dione
SMILESC=CC(=O)CCCCCCCC(=O)CN=[N+]=[N-]
InChIInChI=1S/C12H19N3O2/c1-2-11(16)8-6-4-3-5-7-9-12(17)10-14-15-13/h2H,1,3-10H2
InChIKeyVKKIBOBSAIHZHF-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.35
Rot. Bonds11

About 1-azidododec-11-ene-2,10-dione

1-azidododec-11-ene-2,10-dione (PubChem CID 167561319) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-azidododec-11-ene-2,10-dione.

Molecular Properties

Compound Name1-azidododec-11-ene-2,10-dione
PubChem CID167561319
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-azidododec-11-ene-2,10-dione
SMILESC=CC(=O)CCCCCCCC(=O)CN=[N+]=[N-]
InChIInChI=1S/C12H19N3O2/c1-2-11(16)8-6-4-3-5-7-9-12(17)10-14-15-13/h2H,1,3-10H2
InChIKeyVKKIBOBSAIHZHF-UHFFFAOYSA-N
XLogP3.35
TPSA82.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-azidododec-11-ene-2,10-dione?
The IUPAC name of 1-azidododec-11-ene-2,10-dione (CID 167561319) is 1-azidododec-11-ene-2,10-dione.
What is the SMILES notation for 1-azidododec-11-ene-2,10-dione?
The canonical SMILES for 1-azidododec-11-ene-2,10-dione is C=CC(=O)CCCCCCCC(=O)CN=[N+]=[N-].
What is the InChIKey of 1-azidododec-11-ene-2,10-dione?
The InChIKey is VKKIBOBSAIHZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-11(16)8-6-4-3-5-7-9-12(17)10-14-15-13/h2H,1,3-10H2.
What are the key properties of 1-azidododec-11-ene-2,10-dione?
1-azidododec-11-ene-2,10-dione has a molecular weight of 237.30 g/mol, XLogP of 3.35, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azidododec-11-ene-2,10-dione is sourced from PubChem (CID 167561319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).