2-diazo-1-(2-hept-1-ynylphenyl)ethanone

C15H16N2O — CID 73096894

IUPAC2-diazo-1-(2-hept-1-ynylphenyl)ethanone
SMILESCCCCCC#Cc1ccccc1C(=O)C=[N+]=[N-]
InChIInChI=1S/C15H16N2O/c1-2-3-4-5-6-9-13-10-7-8-11-14(13)15(18)12-17-16/h7-8,10-12H,2-5H2,1H3
InChIKeyFOVYFCYYICLRGR-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.10
Rot. Bonds5

About 2-diazo-1-(2-hept-1-ynylphenyl)ethanone

2-diazo-1-(2-hept-1-ynylphenyl)ethanone (PubChem CID 73096894) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-diazo-1-(2-hept-1-ynylphenyl)ethanone.

Molecular Properties

Compound Name2-diazo-1-(2-hept-1-ynylphenyl)ethanone
PubChem CID73096894
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name2-diazo-1-(2-hept-1-ynylphenyl)ethanone
SMILESCCCCCC#Cc1ccccc1C(=O)C=[N+]=[N-]
InChIInChI=1S/C15H16N2O/c1-2-3-4-5-6-9-13-10-7-8-11-14(13)15(18)12-17-16/h7-8,10-12H,2-5H2,1H3
InChIKeyFOVYFCYYICLRGR-UHFFFAOYSA-N
XLogP3.10
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-diazo-1-(2-hept-1-ynylphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-hept-1-ynylphenyl)buta-2,3-dien-1-one
CID 25257766
(Z)-2-(2-hept-1-ynylphenyl)-2-hydroxyethenediazonium
CID 11776439
2-hex-1-ynylbenzoyl chloride
CID 10727684
1,2-bis(oct-1-ynyl)benzene
CID 11087701
3-(2-oct-1-ynylphenyl)prop-2-enoic acid
CID 69252054
3-(2-non-1-ynylphenyl)prop-2-enoic acid
CID 76841458
2-hex-1-ynyl-N-phenylbenzamide
CID 102337761
2-pent-1-ynylbenzoic acid
CID 10419975
N-(2-oct-1-ynylphenyl)acetamide
CID 11658791
2-[2-(2-carboxy-6-dodec-1-ynylphenyl)propan-2-yl]-3-dodec-1-ynylbenzoic acid
CID 139997204
3-(2-dodec-1-ynylphenyl)propanoic acid
CID 151187733
diethyl 2-(2-hept-1-ynylphenyl)propanedioate
CID 11566127

Frequently Asked Questions

What is the IUPAC name of 2-diazo-1-(2-hept-1-ynylphenyl)ethanone?
The IUPAC name of 2-diazo-1-(2-hept-1-ynylphenyl)ethanone (CID 73096894) is 2-diazo-1-(2-hept-1-ynylphenyl)ethanone.
What is the SMILES notation for 2-diazo-1-(2-hept-1-ynylphenyl)ethanone?
The canonical SMILES for 2-diazo-1-(2-hept-1-ynylphenyl)ethanone is CCCCCC#Cc1ccccc1C(=O)C=[N+]=[N-].
What is the InChIKey of 2-diazo-1-(2-hept-1-ynylphenyl)ethanone?
The InChIKey is FOVYFCYYICLRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-2-3-4-5-6-9-13-10-7-8-11-14(13)15(18)12-17-16/h7-8,10-12H,2-5H2,1H3.
What are the key properties of 2-diazo-1-(2-hept-1-ynylphenyl)ethanone?
2-diazo-1-(2-hept-1-ynylphenyl)ethanone has a molecular weight of 240.31 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazo-1-(2-hept-1-ynylphenyl)ethanone is sourced from PubChem (CID 73096894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).