(5E,7E)-1-diazo-8-phenylocta-5,7-dien-2-one

C14H14N2O — CID 101243518

IUPAC(5E,7E)-1-diazo-8-phenylocta-5,7-dien-2-one
SMILES[N-]=[N+]=CC(=O)CC/C=C/C=C/c1ccccc1
InChIInChI=1S/C14H14N2O/c15-16-12-14(17)11-7-2-1-4-8-13-9-5-3-6-10-13/h1-6,8-10,12H,7,11H2/b2-1+,8-4+
InChIKeyDFPJPUHHAQUOTP-AIWOWGKTSA-N
MW226.28 g/mol
LogP2.91
Rot. Bonds6

About (5E,7E)-1-diazo-8-phenylocta-5,7-dien-2-one

(5E,7E)-1-diazo-8-phenylocta-5,7-dien-2-one (PubChem CID 101243518) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is (5E,7E)-1-diazo-8-phenylocta-5,7-dien-2-one.

Molecular Properties

Compound Name(5E,7E)-1-diazo-8-phenylocta-5,7-dien-2-one
PubChem CID101243518
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name(5E,7E)-1-diazo-8-phenylocta-5,7-dien-2-one
SMILES[N-]=[N+]=CC(=O)CC/C=C/C=C/c1ccccc1
InChIInChI=1S/C14H14N2O/c15-16-12-14(17)11-7-2-1-4-8-13-9-5-3-6-10-13/h1-6,8-10,12H,7,11H2/b2-1+,8-4+
InChIKeyDFPJPUHHAQUOTP-AIWOWGKTSA-N
XLogP2.91
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(E)-1-diazo-7-phenylhept-6-en-2-one
CID 101130154
1,11-diphenylundeca-1,3,8,10-tetraen-6-one
CID 76545225
(4E,6E)-7-phenylhepta-4,6-dien-1-ol
CID 134982496
(E)-5-phenylpent-4-enoic acid
CID 5370650
benzyl N-(3-diazo-2-oxopropyl)-N-[(E)-3-phenylprop-2-enyl]carbamate
CID 135759412
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
4-phenylbuta-1,3-dienylbenzene
CID 162273071
(E)-1-diazo-7-(4-methoxyphenyl)hept-6-en-2-one
CID 135767047
[(3Z)-octa-1,3-dienyl]benzene
CID 154692518
(1E,3E,7E,9E)-1,10-diphenyldeca-1,3,7,9-tetraene-5,6-dione
CID 6152775
(1Z,3Z,6Z,8E)-1,9-diphenylnona-1,3,6,8-tetraen-5-one
CID 51568438
[(1Z,3E,5Z,7E)-8-phenylocta-1,3,5,7-tetraenyl]benzene
CID 124922219

Frequently Asked Questions

What is the IUPAC name of (5E,7E)-1-diazo-8-phenylocta-5,7-dien-2-one?
The IUPAC name of (5E,7E)-1-diazo-8-phenylocta-5,7-dien-2-one (CID 101243518) is (5E,7E)-1-diazo-8-phenylocta-5,7-dien-2-one.
What is the SMILES notation for (5E,7E)-1-diazo-8-phenylocta-5,7-dien-2-one?
The canonical SMILES for (5E,7E)-1-diazo-8-phenylocta-5,7-dien-2-one is [N-]=[N+]=CC(=O)CC/C=C/C=C/c1ccccc1.
What is the InChIKey of (5E,7E)-1-diazo-8-phenylocta-5,7-dien-2-one?
The InChIKey is DFPJPUHHAQUOTP-AIWOWGKTSA-N. The full InChI is InChI=1S/C14H14N2O/c15-16-12-14(17)11-7-2-1-4-8-13-9-5-3-6-10-13/h1-6,8-10,12H,7,11H2/b2-1+,8-4+.
What are the key properties of (5E,7E)-1-diazo-8-phenylocta-5,7-dien-2-one?
(5E,7E)-1-diazo-8-phenylocta-5,7-dien-2-one has a molecular weight of 226.28 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7E)-1-diazo-8-phenylocta-5,7-dien-2-one is sourced from PubChem (CID 101243518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).