2-amino-3-phenylprop-2-enamide

C9H10N2O — CID 70617640

IUPAC2-amino-3-phenylprop-2-enamide
SMILESNC(=O)C(N)=Cc1ccccc1
InChIInChI=1S/C9H10N2O/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-6H,10H2,(H2,11,12)
InChIKeyIWOMDZIDXYDQND-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.47
Rot. Bonds2

About 2-amino-3-phenylprop-2-enamide

2-amino-3-phenylprop-2-enamide (PubChem CID 70617640) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 2-amino-3-phenylprop-2-enamide.

Molecular Properties

Compound Name2-amino-3-phenylprop-2-enamide
PubChem CID70617640
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name2-amino-3-phenylprop-2-enamide
SMILESNC(=O)C(N)=Cc1ccccc1
InChIInChI=1S/C9H10N2O/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-6H,10H2,(H2,11,12)
InChIKeyIWOMDZIDXYDQND-UHFFFAOYSA-N
XLogP0.47
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-diamino-1,5-diphenylpenta-1,4-dien-3-one
CID 66616036
(E)-2-chloro-3-phenylprop-2-enamide
CID 909679
(Z)-2,3-diphenylprop-2-enamide
CID 6016357
(2E)-2-benzylidene-3-methylbutanamide
CID 20836396
2-(fluoromethyl)-3-phenylprop-2-enamide
CID 151130923
2-benzylidenebutanediamide
CID 141083330
2-benzylidene-3,3-dimethylbutanamide
CID 67615260
3-phenyl-2-(sulfonylmethyl)prop-2-enamide
CID 87661438
2-phenoxy-3-phenylprop-2-enamide
CID 70366581
3-methyl-4-phenylbut-3-enamide
CID 23660
(Z)-1-[2-[(Z)-1-amino-2-phenylethenyl]phenyl]-2-phenylethenamine
CID 126612828
germane;2-hydroxy-3-phenylprop-2-enoic acid
CID 174439173

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-phenylprop-2-enamide?
The IUPAC name of 2-amino-3-phenylprop-2-enamide (CID 70617640) is 2-amino-3-phenylprop-2-enamide.
What is the SMILES notation for 2-amino-3-phenylprop-2-enamide?
The canonical SMILES for 2-amino-3-phenylprop-2-enamide is NC(=O)C(N)=Cc1ccccc1.
What is the InChIKey of 2-amino-3-phenylprop-2-enamide?
The InChIKey is IWOMDZIDXYDQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-6H,10H2,(H2,11,12).
What are the key properties of 2-amino-3-phenylprop-2-enamide?
2-amino-3-phenylprop-2-enamide has a molecular weight of 162.19 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-phenylprop-2-enamide is sourced from PubChem (CID 70617640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).