2-benzyl-3,3-dihydroxyprop-2-enamide

C10H11NO3 — CID 174845714

IUPAC2-benzyl-3,3-dihydroxyprop-2-enamide
SMILESNC(=O)C(Cc1ccccc1)=C(O)O
InChIInChI=1S/C10H11NO3/c11-9(12)8(10(13)14)6-7-4-2-1-3-5-7/h1-5,13-14H,6H2,(H2,11,12)
InChIKeyIVZQUFMICGJUPK-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.04
Rot. Bonds3

About 2-benzyl-3,3-dihydroxyprop-2-enamide

2-benzyl-3,3-dihydroxyprop-2-enamide (PubChem CID 174845714) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 2-benzyl-3,3-dihydroxyprop-2-enamide.

Molecular Properties

Compound Name2-benzyl-3,3-dihydroxyprop-2-enamide
PubChem CID174845714
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name2-benzyl-3,3-dihydroxyprop-2-enamide
SMILESNC(=O)C(Cc1ccccc1)=C(O)O
InChIInChI=1S/C10H11NO3/c11-9(12)8(10(13)14)6-7-4-2-1-3-5-7/h1-5,13-14H,6H2,(H2,11,12)
InChIKeyIVZQUFMICGJUPK-UHFFFAOYSA-N
XLogP1.04
TPSA83.55 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 ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3,3-dihydroxyprop-2-enamide?
The IUPAC name of 2-benzyl-3,3-dihydroxyprop-2-enamide (CID 174845714) is 2-benzyl-3,3-dihydroxyprop-2-enamide.
What is the SMILES notation for 2-benzyl-3,3-dihydroxyprop-2-enamide?
The canonical SMILES for 2-benzyl-3,3-dihydroxyprop-2-enamide is NC(=O)C(Cc1ccccc1)=C(O)O.
What is the InChIKey of 2-benzyl-3,3-dihydroxyprop-2-enamide?
The InChIKey is IVZQUFMICGJUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c11-9(12)8(10(13)14)6-7-4-2-1-3-5-7/h1-5,13-14H,6H2,(H2,11,12).
What are the key properties of 2-benzyl-3,3-dihydroxyprop-2-enamide?
2-benzyl-3,3-dihydroxyprop-2-enamide has a molecular weight of 193.20 g/mol, XLogP of 1.04, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3,3-dihydroxyprop-2-enamide is sourced from PubChem (CID 174845714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).