2-amino-N-prop-2-enylbenzamide

C10H12N2O — CID 2062656

IUPAC2-amino-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1N
InChIInChI=1S/C10H12N2O/c1-2-7-12-10(13)8-5-3-4-6-9(8)11/h2-6H,1,7,11H2,(H,12,13)
InChIKeyRHINWRKJVGGOJR-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.18
Rot. Bonds3

About 2-amino-N-prop-2-enylbenzamide

2-amino-N-prop-2-enylbenzamide (PubChem CID 2062656) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-amino-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-amino-N-prop-2-enylbenzamide
PubChem CID2062656
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name2-amino-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1N
InChIInChI=1S/C10H12N2O/c1-2-7-12-10(13)8-5-3-4-6-9(8)11/h2-6H,1,7,11H2,(H,12,13)
InChIKeyRHINWRKJVGGOJR-UHFFFAOYSA-N
XLogP1.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-prop-2-enylbenzamide?
The IUPAC name of 2-amino-N-prop-2-enylbenzamide (CID 2062656) is 2-amino-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-amino-N-prop-2-enylbenzamide?
The canonical SMILES for 2-amino-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N-prop-2-enylbenzamide?
The InChIKey is RHINWRKJVGGOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-2-7-12-10(13)8-5-3-4-6-9(8)11/h2-6H,1,7,11H2,(H,12,13).
What are the key properties of 2-amino-N-prop-2-enylbenzamide?
2-amino-N-prop-2-enylbenzamide has a molecular weight of 176.22 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-prop-2-enylbenzamide is sourced from PubChem (CID 2062656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).