(7E,9E)-2-diazoundeca-7,9-dien-3-one

C11H16N2O — CID 137128758

IUPAC(7E,9E)-2-diazoundeca-7,9-dien-3-one
SMILESC/C=C/C=C/CCCC(=O)C(C)=[N+]=[N-]
InChIInChI=1S/C11H16N2O/c1-3-4-5-6-7-8-9-11(14)10(2)13-12/h3-6H,7-9H2,1-2H3/b4-3+,6-5+
InChIKeyGTHGWWLXCOHSTM-VNKDHWASSA-N
MW192.26 g/mol
LogP2.55
Rot. Bonds6

About (7E,9E)-2-diazoundeca-7,9-dien-3-one

(7E,9E)-2-diazoundeca-7,9-dien-3-one (PubChem CID 137128758) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is (7E,9E)-2-diazoundeca-7,9-dien-3-one.

Molecular Properties

Compound Name(7E,9E)-2-diazoundeca-7,9-dien-3-one
PubChem CID137128758
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name(7E,9E)-2-diazoundeca-7,9-dien-3-one
SMILESC/C=C/C=C/CCCC(=O)C(C)=[N+]=[N-]
InChIInChI=1S/C11H16N2O/c1-3-4-5-6-7-8-9-11(14)10(2)13-12/h3-6H,7-9H2,1-2H3/b4-3+,6-5+
InChIKeyGTHGWWLXCOHSTM-VNKDHWASSA-N
XLogP2.55
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.55
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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Related Compounds

(4Z,6Z,8Z)-2-diazo-1H-cyclopenta[8]annulen-3-one
CID 134924844
(8E)-16-diazocyclohexadec-8-en-1-one
CID 140893756
(8E)-2-diazocyclohexadec-8-en-1-one
CID 140893757
ethene;(Z)-3-imino-5-methylideneoct-6-en-2-one
CID 145093202
5-Diazocyclohexa-1,3-diene;pentan-3-one
CID 158407045
6-Diazo-2-propylcyclohexa-1,3-diene;pentan-3-one
CID 175250996
3-Diazoniodeca-2,5,9-trien-2-olate
CID 71348808
(5Z)-3-diazodeca-5,9-dien-2-one
CID 91999252
(Z)-3-diazoundec-5-en-2-one
CID 100939994
(9E)-4-diazo-2,10-dimethyldodeca-9,11-dien-5-one
CID 100952015
(6E)-2-diazonona-6,8-dien-3-one
CID 137202614
2-Diazoundeca-7,9-dien-3-one
CID 137218728

Frequently Asked Questions

What is the IUPAC name of (7E,9E)-2-diazoundeca-7,9-dien-3-one?
The IUPAC name of (7E,9E)-2-diazoundeca-7,9-dien-3-one (CID 137128758) is (7E,9E)-2-diazoundeca-7,9-dien-3-one.
What is the SMILES notation for (7E,9E)-2-diazoundeca-7,9-dien-3-one?
The canonical SMILES for (7E,9E)-2-diazoundeca-7,9-dien-3-one is C/C=C/C=C/CCCC(=O)C(C)=[N+]=[N-].
What is the InChIKey of (7E,9E)-2-diazoundeca-7,9-dien-3-one?
The InChIKey is GTHGWWLXCOHSTM-VNKDHWASSA-N. The full InChI is InChI=1S/C11H16N2O/c1-3-4-5-6-7-8-9-11(14)10(2)13-12/h3-6H,7-9H2,1-2H3/b4-3+,6-5+.
What are the key properties of (7E,9E)-2-diazoundeca-7,9-dien-3-one?
(7E,9E)-2-diazoundeca-7,9-dien-3-one has a molecular weight of 192.26 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7E,9E)-2-diazoundeca-7,9-dien-3-one is sourced from PubChem (CID 137128758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).