(E)-2-cyano-3-phenylprop-2-enoyl azide

C10H6N4O — CID 11019836

IUPAC(E)-2-cyano-3-phenylprop-2-enoyl azide
SMILESN#C/C(=C\c1ccccc1)C(=O)N=[N+]=[N-]
InChIInChI=1S/C10H6N4O/c11-7-9(10(15)13-14-12)6-8-4-2-1-3-5-8/h1-6H/b9-6+
InChIKeyICQXSZKEDWLVEW-RMKNXTFCSA-N
MW198.18 g/mol
LogP2.43
Rot. Bonds2

About (E)-2-cyano-3-phenylprop-2-enoyl azide

(E)-2-cyano-3-phenylprop-2-enoyl azide (PubChem CID 11019836) has the molecular formula C10H6N4O and a molecular weight of 198.18 g/mol. Its IUPAC name is (E)-2-cyano-3-phenylprop-2-enoyl azide.

Molecular Properties

Compound Name(E)-2-cyano-3-phenylprop-2-enoyl azide
PubChem CID11019836
Molecular FormulaC10H6N4O
Molecular Weight198.18 g/mol
Exact Mass198.05
IUPAC Name(E)-2-cyano-3-phenylprop-2-enoyl azide
SMILESN#C/C(=C\c1ccccc1)C(=O)N=[N+]=[N-]
InChIInChI=1S/C10H6N4O/c11-7-9(10(15)13-14-12)6-8-4-2-1-3-5-8/h1-6H/b9-6+
InChIKeyICQXSZKEDWLVEW-RMKNXTFCSA-N
XLogP2.43
TPSA89.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-N,N-dimethyl-3-phenylprop-2-enamide
CID 71357997
2-[(E)-2-cyano-3-phenylprop-2-enoyl]oxyethyl (E)-2-cyano-3-phenylprop-2-enoate
CID 2426764
(2Z)-2-benzylidene-3-methylidenebutanedinitrile
CID 88843366
[(Z)-ethylideneamino] (E)-2-cyano-3-phenylprop-2-enoate
CID 123644224
(Z)-2-cyano-3-phenyl-N-propylprop-2-enamide
CID 177400804
(E)-2-(azidomethyl)-3-phenylprop-2-enenitrile
CID 134995996
(Z)-2-cyano-3-phenylprop-2-enethioamide
CID 1487476
2-oxo-2-phenylacetyl azide
CID 54447915
1,3-diazido-4-phenylbut-3-en-2-one
CID 139762508
(2E,4Z)-4,5-diphenylpenta-2,4-dienoyl azide
CID 56927308
3-phenyl-2-(piperidine-1-carbonyl)prop-2-enenitrile
CID 72978662
2-cyano-4-methyl-5-phenylpenta-2,4-dienoic acid
CID 78648562

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-phenylprop-2-enoyl azide?
The IUPAC name of (E)-2-cyano-3-phenylprop-2-enoyl azide (CID 11019836) is (E)-2-cyano-3-phenylprop-2-enoyl azide.
What is the SMILES notation for (E)-2-cyano-3-phenylprop-2-enoyl azide?
The canonical SMILES for (E)-2-cyano-3-phenylprop-2-enoyl azide is N#C/C(=C\c1ccccc1)C(=O)N=[N+]=[N-].
What is the InChIKey of (E)-2-cyano-3-phenylprop-2-enoyl azide?
The InChIKey is ICQXSZKEDWLVEW-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H6N4O/c11-7-9(10(15)13-14-12)6-8-4-2-1-3-5-8/h1-6H/b9-6+.
What are the key properties of (E)-2-cyano-3-phenylprop-2-enoyl azide?
(E)-2-cyano-3-phenylprop-2-enoyl azide has a molecular weight of 198.18 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-phenylprop-2-enoyl azide is sourced from PubChem (CID 11019836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).