2H-benzotriazole;N-prop-2-enylacetamide

C11H14N4O — CID 175043782

IUPAC2H-benzotriazole;N-prop-2-enylacetamide
SMILESC=CCNC(C)=O.c1ccc2n[nH]nc2c1
InChIInChI=1S/C6H5N3.C5H9NO/c1-2-4-6-5(3-1)7-9-8-6;1-3-4-6-5(2)7/h1-4H,(H,7,8,9);3H,1,4H2,2H3,(H,6,7)
InChIKeyVMHUPQIQOURFBW-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.27
Rot. Bonds2

About 2H-benzotriazole;N-prop-2-enylacetamide

2H-benzotriazole;N-prop-2-enylacetamide (PubChem CID 175043782) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 2H-benzotriazole;N-prop-2-enylacetamide.

Molecular Properties

Compound Name2H-benzotriazole;N-prop-2-enylacetamide
PubChem CID175043782
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name2H-benzotriazole;N-prop-2-enylacetamide
SMILESC=CCNC(C)=O.c1ccc2n[nH]nc2c1
InChIInChI=1S/C6H5N3.C5H9NO/c1-2-4-6-5(3-1)7-9-8-6;1-3-4-6-5(2)7/h1-4H,(H,7,8,9);3H,1,4H2,2H3,(H,6,7)
InChIKeyVMHUPQIQOURFBW-UHFFFAOYSA-N
XLogP1.27
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-methyl-3-phenyl-N-prop-2-enylbut-2-enamide
CID 3033129
2H-benzotriazole;formaldehyde;phosphoric acid
CID 172709237
2H-benzotriazole;iron
CID 67992309
(E)-3-phenyl-N-prop-2-enylbut-2-enamide
CID 6435359
5-methyl-N-prop-2-enyl-2H-triazole-4-carboxamide
CID 110691624
benzene-1,4-diol;2H-benzotriazole
CID 160549478
(2S)-2-(benzimidazol-1-yl)-N-prop-2-enylpropanamide
CID 39041110
N-prop-2-enyl-2-quinolin-3-yloxyacetamide
CID 110487984
2H-benzotriazole;phenol;prop-2-enylbenzene
CID 175270821
3-methoxy-N-prop-2-enylquinoline-4-carboxamide
CID 110848197
5-(1,3-benzothiazol-2-yl)-N-prop-2-enylpentanamide
CID 78802007
2-(2-methylbenzimidazol-1-yl)-N-prop-2-enylpropanamide
CID 78913706

Frequently Asked Questions

What is the IUPAC name of 2H-benzotriazole;N-prop-2-enylacetamide?
The IUPAC name of 2H-benzotriazole;N-prop-2-enylacetamide (CID 175043782) is 2H-benzotriazole;N-prop-2-enylacetamide.
What is the SMILES notation for 2H-benzotriazole;N-prop-2-enylacetamide?
The canonical SMILES for 2H-benzotriazole;N-prop-2-enylacetamide is C=CCNC(C)=O.c1ccc2n[nH]nc2c1.
What is the InChIKey of 2H-benzotriazole;N-prop-2-enylacetamide?
The InChIKey is VMHUPQIQOURFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3.C5H9NO/c1-2-4-6-5(3-1)7-9-8-6;1-3-4-6-5(2)7/h1-4H,(H,7,8,9);3H,1,4H2,2H3,(H,6,7).
What are the key properties of 2H-benzotriazole;N-prop-2-enylacetamide?
2H-benzotriazole;N-prop-2-enylacetamide has a molecular weight of 218.26 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-benzotriazole;N-prop-2-enylacetamide is sourced from PubChem (CID 175043782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).