3-(5-amino-2-cyanophenyl)prop-2-enamide

C10H9N3O — CID 169481742

IUPAC3-(5-amino-2-cyanophenyl)prop-2-enamide
SMILESN#Cc1ccc(N)cc1C=CC(N)=O
InChIInChI=1S/C10H9N3O/c11-6-8-1-3-9(12)5-7(8)2-4-10(13)14/h1-5H,12H2,(H2,13,14)
InChIKeyRZCOUSVWOQCFRI-UHFFFAOYSA-N
MW187.20 g/mol
LogP0.64
Rot. Bonds2

About 3-(5-amino-2-cyanophenyl)prop-2-enamide

3-(5-amino-2-cyanophenyl)prop-2-enamide (PubChem CID 169481742) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 3-(5-amino-2-cyanophenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(5-amino-2-cyanophenyl)prop-2-enamide
PubChem CID169481742
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name3-(5-amino-2-cyanophenyl)prop-2-enamide
SMILESN#Cc1ccc(N)cc1C=CC(N)=O
InChIInChI=1S/C10H9N3O/c11-6-8-1-3-9(12)5-7(8)2-4-10(13)14/h1-5H,12H2,(H2,13,14)
InChIKeyRZCOUSVWOQCFRI-UHFFFAOYSA-N
XLogP0.64
TPSA92.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-2-cyanophenyl)prop-2-enamide?
The IUPAC name of 3-(5-amino-2-cyanophenyl)prop-2-enamide (CID 169481742) is 3-(5-amino-2-cyanophenyl)prop-2-enamide.
What is the SMILES notation for 3-(5-amino-2-cyanophenyl)prop-2-enamide?
The canonical SMILES for 3-(5-amino-2-cyanophenyl)prop-2-enamide is N#Cc1ccc(N)cc1C=CC(N)=O.
What is the InChIKey of 3-(5-amino-2-cyanophenyl)prop-2-enamide?
The InChIKey is RZCOUSVWOQCFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c11-6-8-1-3-9(12)5-7(8)2-4-10(13)14/h1-5H,12H2,(H2,13,14).
What are the key properties of 3-(5-amino-2-cyanophenyl)prop-2-enamide?
3-(5-amino-2-cyanophenyl)prop-2-enamide has a molecular weight of 187.20 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-2-cyanophenyl)prop-2-enamide is sourced from PubChem (CID 169481742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).