(E)-3-phenyl-2-(tetrazol-1-yl)prop-2-enamide

C10H9N5O — CID 69106646

IUPAC(E)-3-phenyl-2-(tetrazol-1-yl)prop-2-enamide
SMILESNC(=O)/C(=C\c1ccccc1)n1cnnn1
InChIInChI=1S/C10H9N5O/c11-10(16)9(15-7-12-13-14-15)6-8-4-2-1-3-5-8/h1-7H,(H2,11,16)/b9-6+
InChIKeyBGYRYTSTMKLCNM-RMKNXTFCSA-N
MW215.22 g/mol
LogP0.16
Rot. Bonds3

About (E)-3-phenyl-2-(tetrazol-1-yl)prop-2-enamide

(E)-3-phenyl-2-(tetrazol-1-yl)prop-2-enamide (PubChem CID 69106646) has the molecular formula C10H9N5O and a molecular weight of 215.22 g/mol. Its IUPAC name is (E)-3-phenyl-2-(tetrazol-1-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-phenyl-2-(tetrazol-1-yl)prop-2-enamide
PubChem CID69106646
Molecular FormulaC10H9N5O
Molecular Weight215.22 g/mol
Exact Mass215.08
IUPAC Name(E)-3-phenyl-2-(tetrazol-1-yl)prop-2-enamide
SMILESNC(=O)/C(=C\c1ccccc1)n1cnnn1
InChIInChI=1S/C10H9N5O/c11-10(16)9(15-7-12-13-14-15)6-8-4-2-1-3-5-8/h1-7H,(H2,11,16)/b9-6+
InChIKeyBGYRYTSTMKLCNM-RMKNXTFCSA-N
XLogP0.16
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-2-(tetrazol-1-yl)prop-2-enamide?
The IUPAC name of (E)-3-phenyl-2-(tetrazol-1-yl)prop-2-enamide (CID 69106646) is (E)-3-phenyl-2-(tetrazol-1-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-phenyl-2-(tetrazol-1-yl)prop-2-enamide?
The canonical SMILES for (E)-3-phenyl-2-(tetrazol-1-yl)prop-2-enamide is NC(=O)/C(=C\c1ccccc1)n1cnnn1.
What is the InChIKey of (E)-3-phenyl-2-(tetrazol-1-yl)prop-2-enamide?
The InChIKey is BGYRYTSTMKLCNM-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H9N5O/c11-10(16)9(15-7-12-13-14-15)6-8-4-2-1-3-5-8/h1-7H,(H2,11,16)/b9-6+.
What are the key properties of (E)-3-phenyl-2-(tetrazol-1-yl)prop-2-enamide?
(E)-3-phenyl-2-(tetrazol-1-yl)prop-2-enamide has a molecular weight of 215.22 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-2-(tetrazol-1-yl)prop-2-enamide is sourced from PubChem (CID 69106646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).