(5Z)-3-diazodeca-5,9-dien-2-one

C10H14N2O — CID 91999252

IUPAC(5Z)-3-diazodeca-5,9-dien-2-one
SMILESC=CCC/C=C\CC(=[N+]=[N-])C(C)=O
InChIInChI=1S/C10H14N2O/c1-3-4-5-6-7-8-10(12-11)9(2)13/h3,6-7H,1,4-5,8H2,2H3/b7-6-
InChIKeyLPLVEIMUKJWVIP-SREVYHEPSA-N
MW178.23 g/mol
LogP2.16
Rot. Bonds6

About (5Z)-3-diazodeca-5,9-dien-2-one

(5Z)-3-diazodeca-5,9-dien-2-one (PubChem CID 91999252) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is (5Z)-3-diazodeca-5,9-dien-2-one.

Molecular Properties

Compound Name(5Z)-3-diazodeca-5,9-dien-2-one
PubChem CID91999252
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name(5Z)-3-diazodeca-5,9-dien-2-one
SMILESC=CCC/C=C\CC(=[N+]=[N-])C(C)=O
InChIInChI=1S/C10H14N2O/c1-3-4-5-6-7-8-10(12-11)9(2)13/h3,6-7H,1,4-5,8H2,2H3/b7-6-
InChIKeyLPLVEIMUKJWVIP-SREVYHEPSA-N
XLogP2.16
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-3-diazodeca-5,9-dien-2-one?
The IUPAC name of (5Z)-3-diazodeca-5,9-dien-2-one (CID 91999252) is (5Z)-3-diazodeca-5,9-dien-2-one.
What is the SMILES notation for (5Z)-3-diazodeca-5,9-dien-2-one?
The canonical SMILES for (5Z)-3-diazodeca-5,9-dien-2-one is C=CCC/C=C\CC(=[N+]=[N-])C(C)=O.
What is the InChIKey of (5Z)-3-diazodeca-5,9-dien-2-one?
The InChIKey is LPLVEIMUKJWVIP-SREVYHEPSA-N. The full InChI is InChI=1S/C10H14N2O/c1-3-4-5-6-7-8-10(12-11)9(2)13/h3,6-7H,1,4-5,8H2,2H3/b7-6-.
What are the key properties of (5Z)-3-diazodeca-5,9-dien-2-one?
(5Z)-3-diazodeca-5,9-dien-2-one has a molecular weight of 178.23 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-diazodeca-5,9-dien-2-one is sourced from PubChem (CID 91999252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).