1,3-bis(3-azidophenyl)prop-2-en-1-one

C15H10N6O — CID 54371309

IUPAC1,3-bis(3-azidophenyl)prop-2-en-1-one
SMILES[N-]=[N+]=Nc1cccc(C=CC(=O)c2cccc(N=[N+]=[N-])c2)c1
InChIInChI=1S/C15H10N6O/c16-20-18-13-5-1-3-11(9-13)7-8-15(22)12-4-2-6-14(10-12)19-21-17/h1-10H
InChIKeyUTKFCHPTSQFHAS-UHFFFAOYSA-N
MW290.29 g/mol
LogP5.47
Rot. Bonds5

About 1,3-bis(3-azidophenyl)prop-2-en-1-one

1,3-bis(3-azidophenyl)prop-2-en-1-one (PubChem CID 54371309) has the molecular formula C15H10N6O and a molecular weight of 290.29 g/mol. Its IUPAC name is 1,3-bis(3-azidophenyl)prop-2-en-1-one.

Molecular Properties

Compound Name1,3-bis(3-azidophenyl)prop-2-en-1-one
PubChem CID54371309
Molecular FormulaC15H10N6O
Molecular Weight290.29 g/mol
Exact Mass290.09
IUPAC Name1,3-bis(3-azidophenyl)prop-2-en-1-one
SMILES[N-]=[N+]=Nc1cccc(C=CC(=O)c2cccc(N=[N+]=[N-])c2)c1
InChIInChI=1S/C15H10N6O/c16-20-18-13-5-1-3-11(9-13)7-8-15(22)12-4-2-6-14(10-12)19-21-17/h1-10H
InChIKeyUTKFCHPTSQFHAS-UHFFFAOYSA-N
XLogP5.47
TPSA114.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.29
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 1,3-bis(3-azidophenyl)prop-2-en-1-one 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

3-[3-(4-azidophenyl)prop-2-enoyl]benzenesulfonic acid
CID 57283860
(Z)-1,3-bis(4-azidophenyl)prop-2-en-1-one
CID 91521628
CID 158206097
CID 158206097
(E)-3-[3-[(E)-3-[3-(diaminomethylideneamino)phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enoic acid
CID 70112095
1-azido-3-ethenylbenzene
CID 10920640
3-[3-[3-[3-(hydrazinylmethylideneamino)phenyl]prop-2-enoyl]phenyl]prop-2-enoic acid
CID 70112774
3-(4-azidophenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 54106936
(4E)-5-(4-azidophenyl)-1-phenylpenta-2,4-dien-1-one
CID 174058318
3-[3-(3-oxo-3-phenylprop-1-enyl)phenyl]prop-2-enoic acid
CID 75076829
3-(3-acetylphenyl)-1-(3-methylphenyl)prop-2-en-1-one
CID 123185506
3-(4-bromophenyl)-1-[3-[(4-bromophenyl)methylideneamino]phenyl]prop-2-en-1-one
CID 3846238
(E)-1-(3-aminophenyl)-3-(3-chlorophenyl)prop-2-en-1-one
CID 155817920

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(3-azidophenyl)prop-2-en-1-one?
The IUPAC name of 1,3-bis(3-azidophenyl)prop-2-en-1-one (CID 54371309) is 1,3-bis(3-azidophenyl)prop-2-en-1-one.
What is the SMILES notation for 1,3-bis(3-azidophenyl)prop-2-en-1-one?
The canonical SMILES for 1,3-bis(3-azidophenyl)prop-2-en-1-one is [N-]=[N+]=Nc1cccc(C=CC(=O)c2cccc(N=[N+]=[N-])c2)c1.
What is the InChIKey of 1,3-bis(3-azidophenyl)prop-2-en-1-one?
The InChIKey is UTKFCHPTSQFHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N6O/c16-20-18-13-5-1-3-11(9-13)7-8-15(22)12-4-2-6-14(10-12)19-21-17/h1-10H.
What are the key properties of 1,3-bis(3-azidophenyl)prop-2-en-1-one?
1,3-bis(3-azidophenyl)prop-2-en-1-one has a molecular weight of 290.29 g/mol, XLogP of 5.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3-azidophenyl)prop-2-en-1-one is sourced from PubChem (CID 54371309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).