5-diazo-4-oxo-2-phenylpentanal

C11H10N2O2 — CID 100976622

IUPAC5-diazo-4-oxo-2-phenylpentanal
SMILES[N-]=[N+]=CC(=O)CC(C=O)c1ccccc1
InChIInChI=1S/C11H10N2O2/c12-13-7-11(15)6-10(8-14)9-4-2-1-3-5-9/h1-5,7-8,10H,6H2
InChIKeyZOKGMIJYGKPDQT-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.23
Rot. Bonds5

About 5-diazo-4-oxo-2-phenylpentanal

5-diazo-4-oxo-2-phenylpentanal (PubChem CID 100976622) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 5-diazo-4-oxo-2-phenylpentanal.

Molecular Properties

Compound Name5-diazo-4-oxo-2-phenylpentanal
PubChem CID100976622
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name5-diazo-4-oxo-2-phenylpentanal
SMILES[N-]=[N+]=CC(=O)CC(C=O)c1ccccc1
InChIInChI=1S/C11H10N2O2/c12-13-7-11(15)6-10(8-14)9-4-2-1-3-5-9/h1-5,7-8,10H,6H2
InChIKeyZOKGMIJYGKPDQT-UHFFFAOYSA-N
XLogP1.23
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (3S)-4-oxo-3-phenylbutanoate
CID 165121865
1-diazo-3-phenylbutan-2-one
CID 57285931
2-but-3-enyl-5-diazo-1-phenylpentane-1,4-dione
CID 85177494
3-(dimethylamino)-2-phenylpropanal
CID 174693852
3-diazo-1-methoxy-1-phenylpropan-2-one
CID 86139518
(3-oxo-2-phenylpropyl) benzoate
CID 57075973
1-diazo-3-diphenoxyphosphorylpropan-2-one
CID 102530448
2-phenylpent-4-ynal
CID 14713497
(3S)-3-phenylpent-4-enoic acid
CID 92981953
5-methyl-2,6-diphenylhex-5-enal
CID 173438897
tert-butyl-(3-oxo-2-phenylpropyl)carbamic acid
CID 87311511
(3S)-1-diazo-3-hydroxy-4-phenylbutan-2-one
CID 102513589

Frequently Asked Questions

What is the IUPAC name of 5-diazo-4-oxo-2-phenylpentanal?
The IUPAC name of 5-diazo-4-oxo-2-phenylpentanal (CID 100976622) is 5-diazo-4-oxo-2-phenylpentanal.
What is the SMILES notation for 5-diazo-4-oxo-2-phenylpentanal?
The canonical SMILES for 5-diazo-4-oxo-2-phenylpentanal is [N-]=[N+]=CC(=O)CC(C=O)c1ccccc1.
What is the InChIKey of 5-diazo-4-oxo-2-phenylpentanal?
The InChIKey is ZOKGMIJYGKPDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c12-13-7-11(15)6-10(8-14)9-4-2-1-3-5-9/h1-5,7-8,10H,6H2.
What are the key properties of 5-diazo-4-oxo-2-phenylpentanal?
5-diazo-4-oxo-2-phenylpentanal has a molecular weight of 202.21 g/mol, XLogP of 1.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-diazo-4-oxo-2-phenylpentanal is sourced from PubChem (CID 100976622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).