N-[dihydroxy(phenyl)methyl]prop-2-enamide

C10H11NO3 — CID 155683465

IUPACN-[dihydroxy(phenyl)methyl]prop-2-enamide
SMILESC=CC(=O)NC(O)(O)c1ccccc1
InChIInChI=1S/C10H11NO3/c1-2-9(12)11-10(13,14)8-6-4-3-5-7-8/h2-7,13-14H,1H2,(H,11,12)
InChIKeyFVQVVMJSJLEXJN-UHFFFAOYSA-N
MW193.20 g/mol
LogP0.08
Rot. Bonds3

About N-[dihydroxy(phenyl)methyl]prop-2-enamide

N-[dihydroxy(phenyl)methyl]prop-2-enamide (PubChem CID 155683465) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is N-[dihydroxy(phenyl)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[dihydroxy(phenyl)methyl]prop-2-enamide
PubChem CID155683465
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC NameN-[dihydroxy(phenyl)methyl]prop-2-enamide
SMILESC=CC(=O)NC(O)(O)c1ccccc1
InChIInChI=1S/C10H11NO3/c1-2-9(12)11-10(13,14)8-6-4-3-5-7-8/h2-7,13-14H,1H2,(H,11,12)
InChIKeyFVQVVMJSJLEXJN-UHFFFAOYSA-N
XLogP0.08
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[dihydroxy(phenyl)methyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloro-1-phenylpropan-2-yl)prop-2-enamide
CID 67514533
N-[3-(tritylamino)propyl]prop-2-enamide
CID 139888249
N'-phenylprop-2-enehydrazide
CID 21179187
4,5-diamino-4,5-diphenylocta-1,7-diene-3,6-dione
CID 118555479
methylamino(phenyl)methanediol
CID 89244016
oxolane-2,4-dione;N-(2-phenylbutan-2-yl)prop-2-enamide
CID 174925415
[cyano(diphenyl)methyl]carbamic acid
CID 135056322
ethenyl 2,2,2-triphenylacetate
CID 102123428
1,1-diphenylethylbenzene;prop-2-enamide
CID 174910563
N-[2-(2-acetylphenyl)propan-2-yl]prop-2-enamide;hydrochloride
CID 174385229
N-(3-tert-butylphenyl)prop-2-enamide
CID 59788882
2-indol-1-yl-2-(4-methylphenyl)-2-(prop-2-enoylamino)acetic acid
CID 140635336

Frequently Asked Questions

What is the IUPAC name of N-[dihydroxy(phenyl)methyl]prop-2-enamide?
The IUPAC name of N-[dihydroxy(phenyl)methyl]prop-2-enamide (CID 155683465) is N-[dihydroxy(phenyl)methyl]prop-2-enamide.
What is the SMILES notation for N-[dihydroxy(phenyl)methyl]prop-2-enamide?
The canonical SMILES for N-[dihydroxy(phenyl)methyl]prop-2-enamide is C=CC(=O)NC(O)(O)c1ccccc1.
What is the InChIKey of N-[dihydroxy(phenyl)methyl]prop-2-enamide?
The InChIKey is FVQVVMJSJLEXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-2-9(12)11-10(13,14)8-6-4-3-5-7-8/h2-7,13-14H,1H2,(H,11,12).
What are the key properties of N-[dihydroxy(phenyl)methyl]prop-2-enamide?
N-[dihydroxy(phenyl)methyl]prop-2-enamide has a molecular weight of 193.20 g/mol, XLogP of 0.08, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dihydroxy(phenyl)methyl]prop-2-enamide is sourced from PubChem (CID 155683465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).