(E)-2-oxo-4-phenyl-N-(2H-tetrazol-5-yl)but-3-enamide

C11H9N5O2 — CID 70156613

IUPAC(E)-2-oxo-4-phenyl-N-(2H-tetrazol-5-yl)but-3-enamide
SMILESO=C(/C=C/c1ccccc1)C(=O)Nc1nn[nH]n1
InChIInChI=1S/C11H9N5O2/c17-9(7-6-8-4-2-1-3-5-8)10(18)12-11-13-15-16-14-11/h1-7H,(H2,12,13,14,15,16,18)/b7-6+
InChIKeyIWXFWMRWHPETAU-VOTSOKGWSA-N
MW243.23 g/mol
LogP0.42
Rot. Bonds4

About (E)-2-oxo-4-phenyl-N-(2H-tetrazol-5-yl)but-3-enamide

(E)-2-oxo-4-phenyl-N-(2H-tetrazol-5-yl)but-3-enamide (PubChem CID 70156613) has the molecular formula C11H9N5O2 and a molecular weight of 243.23 g/mol. Its IUPAC name is (E)-2-oxo-4-phenyl-N-(2H-tetrazol-5-yl)but-3-enamide.

Molecular Properties

Compound Name(E)-2-oxo-4-phenyl-N-(2H-tetrazol-5-yl)but-3-enamide
PubChem CID70156613
Molecular FormulaC11H9N5O2
Molecular Weight243.23 g/mol
Exact Mass243.08
IUPAC Name(E)-2-oxo-4-phenyl-N-(2H-tetrazol-5-yl)but-3-enamide
SMILESO=C(/C=C/c1ccccc1)C(=O)Nc1nn[nH]n1
InChIInChI=1S/C11H9N5O2/c17-9(7-6-8-4-2-1-3-5-8)10(18)12-11-13-15-16-14-11/h1-7H,(H2,12,13,14,15,16,18)/b7-6+
InChIKeyIWXFWMRWHPETAU-VOTSOKGWSA-N
XLogP0.42
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-pyridin-4-yl-N-(2H-tetrazol-5-yl)prop-2-enamide
CID 54433090
1-N,2-N-bis(2H-tetrazol-5-yl)benzene-1,2-dicarboxamide
CID 3402764
N-ethyl-2-oxo-4-phenylbut-3-enamide
CID 57196794
(E)-N-ethenyl-2-oxo-4-phenylbut-3-enamide
CID 70158495
2-(benzenesulfinyl)-N-(2H-tetrazol-5-yl)acetamide
CID 140956956
N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-2H-tetrazol-5-amine
CID 6894212
(E)-3-[2-(difluoromethoxy)phenyl]-N-(2H-tetrazol-5-yl)prop-2-enamide
CID 75533554
N-[2-(4-fluorophenyl)-2-methylpropyl]-2-oxo-4-phenylbut-3-enamide
CID 77225367
(E)-N-[2-(4-fluorophenyl)-2-methylpropyl]-2-oxo-4-phenylbut-3-enamide
CID 67097750
(E)-2-oxo-4-phenyl-N-prop-1-enylbut-3-enamide
CID 174345393
2-pyridin-3-yl-N-(2H-tetrazol-5-yl)prop-2-enamide
CID 19995962
(E)-N-[2-(methylamino)-2-oxoethyl]-2-oxo-4-phenylbut-3-enamide
CID 70156317

Frequently Asked Questions

What is the IUPAC name of (E)-2-oxo-4-phenyl-N-(2H-tetrazol-5-yl)but-3-enamide?
The IUPAC name of (E)-2-oxo-4-phenyl-N-(2H-tetrazol-5-yl)but-3-enamide (CID 70156613) is (E)-2-oxo-4-phenyl-N-(2H-tetrazol-5-yl)but-3-enamide.
What is the SMILES notation for (E)-2-oxo-4-phenyl-N-(2H-tetrazol-5-yl)but-3-enamide?
The canonical SMILES for (E)-2-oxo-4-phenyl-N-(2H-tetrazol-5-yl)but-3-enamide is O=C(/C=C/c1ccccc1)C(=O)Nc1nn[nH]n1.
What is the InChIKey of (E)-2-oxo-4-phenyl-N-(2H-tetrazol-5-yl)but-3-enamide?
The InChIKey is IWXFWMRWHPETAU-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H9N5O2/c17-9(7-6-8-4-2-1-3-5-8)10(18)12-11-13-15-16-14-11/h1-7H,(H2,12,13,14,15,16,18)/b7-6+.
What are the key properties of (E)-2-oxo-4-phenyl-N-(2H-tetrazol-5-yl)but-3-enamide?
(E)-2-oxo-4-phenyl-N-(2H-tetrazol-5-yl)but-3-enamide has a molecular weight of 243.23 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-oxo-4-phenyl-N-(2H-tetrazol-5-yl)but-3-enamide is sourced from PubChem (CID 70156613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).