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

C10H12N2O — CID 169481556

IUPAC3-(2-amino-5-methylphenyl)prop-2-enamide
SMILESCc1ccc(N)c(C=CC(N)=O)c1
InChIInChI=1S/C10H12N2O/c1-7-2-4-9(11)8(6-7)3-5-10(12)13/h2-6H,11H2,1H3,(H2,12,13)
InChIKeyVHOVSCDVIZZUDZ-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.08
Rot. Bonds2

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

3-(2-amino-5-methylphenyl)prop-2-enamide (PubChem CID 169481556) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 3-(2-amino-5-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(2-amino-5-methylphenyl)prop-2-enamide
PubChem CID169481556
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name3-(2-amino-5-methylphenyl)prop-2-enamide
SMILESCc1ccc(N)c(C=CC(N)=O)c1
InChIInChI=1S/C10H12N2O/c1-7-2-4-9(11)8(6-7)3-5-10(12)13/h2-6H,11H2,1H3,(H2,12,13)
InChIKeyVHOVSCDVIZZUDZ-UHFFFAOYSA-N
XLogP1.08
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-amino-5-bromophenyl)prop-2-enamide
CID 129410638
(Z)-3-(3-chloro-2-hydroxy-5-methylphenyl)prop-2-enamide
CID 131497818
3-[2-amino-5-(trifluoromethoxy)phenyl]prop-2-enamide
CID 169482579
(Z)-3-(6-methyl-1H-indol-3-yl)prop-2-enamide
CID 170876576
2-(3-bromoprop-1-enyl)-4-methylaniline
CID 169475211
3-(2-amino-5-methyl-4-nitrophenyl)prop-2-enamide
CID 169482303
(E)-3-(6-amino-2-methyl-3-pyridinyl)prop-2-enamide
CID 144636929
(E)-3-[2-(3-fluorophenyl)-4-methylphenyl]prop-2-enamide
CID 170399726
2-(4-chlorobut-1-enyl)-4-methylaniline
CID 170498863
(Z)-3-(5-methyl-1H-indol-2-yl)prop-2-enamide
CID 170878076
2-[(Z)-2-amino-2-cyclopropylethenyl]-4-methylaniline
CID 169241549
3-(2-amino-5-fluorophenyl)prop-2-enoic acid
CID 123339785

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-5-methylphenyl)prop-2-enamide?
The IUPAC name of 3-(2-amino-5-methylphenyl)prop-2-enamide (CID 169481556) is 3-(2-amino-5-methylphenyl)prop-2-enamide.
What is the SMILES notation for 3-(2-amino-5-methylphenyl)prop-2-enamide?
The canonical SMILES for 3-(2-amino-5-methylphenyl)prop-2-enamide is Cc1ccc(N)c(C=CC(N)=O)c1.
What is the InChIKey of 3-(2-amino-5-methylphenyl)prop-2-enamide?
The InChIKey is VHOVSCDVIZZUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-7-2-4-9(11)8(6-7)3-5-10(12)13/h2-6H,11H2,1H3,(H2,12,13).
What are the key properties of 3-(2-amino-5-methylphenyl)prop-2-enamide?
3-(2-amino-5-methylphenyl)prop-2-enamide has a molecular weight of 176.22 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-5-methylphenyl)prop-2-enamide is sourced from PubChem (CID 169481556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).