(Z)-1,3-bis(4-azidophenyl)prop-2-en-1-one

C15H10N6O — CID 91521628

IUPAC(Z)-1,3-bis(4-azidophenyl)prop-2-en-1-one
SMILES[N-]=[N+]=Nc1ccc(/C=C\C(=O)c2ccc(N=[N+]=[N-])cc2)cc1
InChIInChI=1S/C15H10N6O/c16-20-18-13-6-1-11(2-7-13)3-10-15(22)12-4-8-14(9-5-12)19-21-17/h1-10H/b10-3-
InChIKeyFSAONUPVUVBQHL-KMKOMSMNSA-N
MW290.29 g/mol
LogP5.47
Rot. Bonds5

About (Z)-1,3-bis(4-azidophenyl)prop-2-en-1-one

(Z)-1,3-bis(4-azidophenyl)prop-2-en-1-one (PubChem CID 91521628) has the molecular formula C15H10N6O and a molecular weight of 290.29 g/mol. Its IUPAC name is (Z)-1,3-bis(4-azidophenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-1,3-bis(4-azidophenyl)prop-2-en-1-one
PubChem CID91521628
Molecular FormulaC15H10N6O
Molecular Weight290.29 g/mol
Exact Mass290.09
IUPAC Name(Z)-1,3-bis(4-azidophenyl)prop-2-en-1-one
SMILES[N-]=[N+]=Nc1ccc(/C=C\C(=O)c2ccc(N=[N+]=[N-])cc2)cc1
InChIInChI=1S/C15H10N6O/c16-20-18-13-6-1-11(2-7-13)3-10-15(22)12-4-8-14(9-5-12)19-21-17/h1-10H/b10-3-
InChIKeyFSAONUPVUVBQHL-KMKOMSMNSA-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'}

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Related Compounds

CID 158206097
CID 158206097
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-(4-azidophenyl)prop-2-enoyl]benzenesulfonic acid
CID 57283860
methyl (E)-3-(4-azidophenyl)prop-2-enoate
CID 11009012
1,3-bis(3-azidophenyl)prop-2-en-1-one
CID 54371309
bis(bis(4-methylphenyl)diazene);bis((E)-1,3-bis(4-methylphenyl)prop-2-en-1-one)
CID 159108688
4-[2-(4-azidophenyl)ethenyl]benzaldehyde
CID 4829281
(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 5369391
1-azido-4-[(E)-2-(4-bromophenyl)ethenyl]benzene
CID 100945637
1-(4-azidophenyl)-2-phenylethane-1,2-dione
CID 89499580
1-azido-4-[(E)-2-(4-chlorophenyl)ethenyl]benzene
CID 11644565

Frequently Asked Questions

What is the IUPAC name of (Z)-1,3-bis(4-azidophenyl)prop-2-en-1-one?
The IUPAC name of (Z)-1,3-bis(4-azidophenyl)prop-2-en-1-one (CID 91521628) is (Z)-1,3-bis(4-azidophenyl)prop-2-en-1-one.
What is the SMILES notation for (Z)-1,3-bis(4-azidophenyl)prop-2-en-1-one?
The canonical SMILES for (Z)-1,3-bis(4-azidophenyl)prop-2-en-1-one is [N-]=[N+]=Nc1ccc(/C=C\C(=O)c2ccc(N=[N+]=[N-])cc2)cc1.
What is the InChIKey of (Z)-1,3-bis(4-azidophenyl)prop-2-en-1-one?
The InChIKey is FSAONUPVUVBQHL-KMKOMSMNSA-N. The full InChI is InChI=1S/C15H10N6O/c16-20-18-13-6-1-11(2-7-13)3-10-15(22)12-4-8-14(9-5-12)19-21-17/h1-10H/b10-3-.
What are the key properties of (Z)-1,3-bis(4-azidophenyl)prop-2-en-1-one?
(Z)-1,3-bis(4-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 (Z)-1,3-bis(4-azidophenyl)prop-2-en-1-one is sourced from PubChem (CID 91521628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).