2-[(S)-hydroxy-(3-methoxyphenyl)methyl]prop-2-enamide

C11H13NO3 — CID 11218017

IUPAC2-[(S)-hydroxy-(3-methoxyphenyl)methyl]prop-2-enamide
SMILESC=C(C(N)=O)[C@@H](O)c1cccc(OC)c1
InChIInChI=1S/C11H13NO3/c1-7(11(12)14)10(13)8-4-3-5-9(6-8)15-2/h3-6,10,13H,1H2,2H3,(H2,12,14)/t10-/m1/s1
InChIKeyBRWBANNWMNGOEA-SNVBAGLBSA-N
MW207.23 g/mol
LogP0.77
Rot. Bonds4

About 2-[(S)-hydroxy-(3-methoxyphenyl)methyl]prop-2-enamide

2-[(S)-hydroxy-(3-methoxyphenyl)methyl]prop-2-enamide (PubChem CID 11218017) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-[(S)-hydroxy-(3-methoxyphenyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name2-[(S)-hydroxy-(3-methoxyphenyl)methyl]prop-2-enamide
PubChem CID11218017
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name2-[(S)-hydroxy-(3-methoxyphenyl)methyl]prop-2-enamide
SMILESC=C(C(N)=O)[C@@H](O)c1cccc(OC)c1
InChIInChI=1S/C11H13NO3/c1-7(11(12)14)10(13)8-4-3-5-9(6-8)15-2/h3-6,10,13H,1H2,2H3,(H2,12,14)/t10-/m1/s1
InChIKeyBRWBANNWMNGOEA-SNVBAGLBSA-N
XLogP0.77
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(S)-hydroxy-(3-methoxyphenyl)methyl]prop-2-enamide?
The IUPAC name of 2-[(S)-hydroxy-(3-methoxyphenyl)methyl]prop-2-enamide (CID 11218017) is 2-[(S)-hydroxy-(3-methoxyphenyl)methyl]prop-2-enamide.
What is the SMILES notation for 2-[(S)-hydroxy-(3-methoxyphenyl)methyl]prop-2-enamide?
The canonical SMILES for 2-[(S)-hydroxy-(3-methoxyphenyl)methyl]prop-2-enamide is C=C(C(N)=O)[C@@H](O)c1cccc(OC)c1.
What is the InChIKey of 2-[(S)-hydroxy-(3-methoxyphenyl)methyl]prop-2-enamide?
The InChIKey is BRWBANNWMNGOEA-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13NO3/c1-7(11(12)14)10(13)8-4-3-5-9(6-8)15-2/h3-6,10,13H,1H2,2H3,(H2,12,14)/t10-/m1/s1.
What are the key properties of 2-[(S)-hydroxy-(3-methoxyphenyl)methyl]prop-2-enamide?
2-[(S)-hydroxy-(3-methoxyphenyl)methyl]prop-2-enamide has a molecular weight of 207.23 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-hydroxy-(3-methoxyphenyl)methyl]prop-2-enamide is sourced from PubChem (CID 11218017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).