(3Z,5Z)-3-diazenylhepta-3,5-dien-2-one

C7H10N2O — CID 122436508

IUPAC(3Z,5Z)-3-diazenylhepta-3,5-dien-2-one
SMILES[H]/N=N/C(=C\C=C/C)C(C)=O
InChIInChI=1S/C7H10N2O/c1-3-4-5-7(9-8)6(2)10/h3-5,8H,1-2H3/b4-3-,7-5-,9-8+
InChIKeyNHVGPBHRKRBCPE-LMHCHECESA-N
MW138.17 g/mol
LogP2.07
Rot. Bonds3

About (3Z,5Z)-3-diazenylhepta-3,5-dien-2-one

(3Z,5Z)-3-diazenylhepta-3,5-dien-2-one (PubChem CID 122436508) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is (3Z,5Z)-3-diazenylhepta-3,5-dien-2-one.

Molecular Properties

Compound Name(3Z,5Z)-3-diazenylhepta-3,5-dien-2-one
PubChem CID122436508
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name(3Z,5Z)-3-diazenylhepta-3,5-dien-2-one
SMILES[H]/N=N/C(=C\C=C/C)C(C)=O
InChIInChI=1S/C7H10N2O/c1-3-4-5-7(9-8)6(2)10/h3-5,8H,1-2H3/b4-3-,7-5-,9-8+
InChIKeyNHVGPBHRKRBCPE-LMHCHECESA-N
XLogP2.07
TPSA53.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3E,5Z)-1-imino-3-methanimidoylhepta-3,5-dien-2-one
CID 156556155
(Z)-3-(methyldiazenyl)pent-3-en-2-one
CID 144679561
(2Z,4Z)-2-(2-oxopropylideneamino)hexa-2,4-dienal
CID 143956499
2-chlorohexa-2,4-dienoic acid
CID 54548904
(2Z,4E)-2-chlorohexa-2,4-dienoic acid
CID 14647350
(3Z)-hepta-3,5-dien-2-one
CID 123850748
(3Z,5E)-hepta-3,5-dien-2-one
CID 12524557
2-but-2-enylidenepropanedioic acid
CID 54310127
(2Z,3E)-2,3-bis[(E)-but-2-enylidene]butanedioic acid
CID 141155384
(4Z,6Z)-1-cyclopropyl-4-(methylideneamino)octa-4,6-dien-3-one
CID 146207254
N-imino-4-oxopentanamide
CID 59086798
3-methylocta-2,4,6-trienamide
CID 141023741

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-3-diazenylhepta-3,5-dien-2-one?
The IUPAC name of (3Z,5Z)-3-diazenylhepta-3,5-dien-2-one (CID 122436508) is (3Z,5Z)-3-diazenylhepta-3,5-dien-2-one.
What is the SMILES notation for (3Z,5Z)-3-diazenylhepta-3,5-dien-2-one?
The canonical SMILES for (3Z,5Z)-3-diazenylhepta-3,5-dien-2-one is [H]/N=N/C(=C\C=C/C)C(C)=O.
What is the InChIKey of (3Z,5Z)-3-diazenylhepta-3,5-dien-2-one?
The InChIKey is NHVGPBHRKRBCPE-LMHCHECESA-N. The full InChI is InChI=1S/C7H10N2O/c1-3-4-5-7(9-8)6(2)10/h3-5,8H,1-2H3/b4-3-,7-5-,9-8+.
What are the key properties of (3Z,5Z)-3-diazenylhepta-3,5-dien-2-one?
(3Z,5Z)-3-diazenylhepta-3,5-dien-2-one has a molecular weight of 138.17 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-3-diazenylhepta-3,5-dien-2-one is sourced from PubChem (CID 122436508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).