2-[(S)-methoxy(phenyl)methyl]prop-2-enamide

C11H13NO2 — CID 101229694

IUPAC2-[(S)-methoxy(phenyl)methyl]prop-2-enamide
SMILESC=C(C(N)=O)[C@@H](OC)c1ccccc1
InChIInChI=1S/C11H13NO2/c1-8(11(12)13)10(14-2)9-6-4-3-5-7-9/h3-7,10H,1H2,2H3,(H2,12,13)/t10-/m1/s1
InChIKeyZCJSKQLZQBEELV-SNVBAGLBSA-N
MW191.23 g/mol
LogP1.42
Rot. Bonds4

About 2-[(S)-methoxy(phenyl)methyl]prop-2-enamide

2-[(S)-methoxy(phenyl)methyl]prop-2-enamide (PubChem CID 101229694) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-[(S)-methoxy(phenyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name2-[(S)-methoxy(phenyl)methyl]prop-2-enamide
PubChem CID101229694
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-[(S)-methoxy(phenyl)methyl]prop-2-enamide
SMILESC=C(C(N)=O)[C@@H](OC)c1ccccc1
InChIInChI=1S/C11H13NO2/c1-8(11(12)13)10(14-2)9-6-4-3-5-7-9/h3-7,10H,1H2,2H3,(H2,12,13)/t10-/m1/s1
InChIKeyZCJSKQLZQBEELV-SNVBAGLBSA-N
XLogP1.42
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Methyl-3-phenyloxirane-2-carboximidic acid
CID 32382
U-77864
CID 3035779
2-Methoxy-2-phenylacetamide
CID 344721
N-tert-butyl-4-ethenyl-2-(4-fluorophenyl)-2,5-dihydrofuran-3-carboxamide
CID 57328561
3-Hydroxy-3-phenylpropionamide
CID 231309
Oxiranecarboxamide, 3-phenyl-, (2R,3S)-rel-
CID 10931765
3-Hydroxy-2-methyl-3-phenylpropanamide
CID 15183457
3-[(3,4-Difluorophenyl)methoxy]butanamide
CID 91805047
3-Methoxy-3-phenylpropanoyl fluoride
CID 101366795
2-[(3-Fluorophenyl)-hydroxymethyl]prop-2-enamide
CID 101435729
2-[(S)-hydroxy-(4-methylphenyl)methyl]prop-2-enamide
CID 101229682
3-Benzyloxy-4-cyanobutyramide
CID 129829986

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-methoxy(phenyl)methyl]prop-2-enamide?
The IUPAC name of 2-[(S)-methoxy(phenyl)methyl]prop-2-enamide (CID 101229694) is 2-[(S)-methoxy(phenyl)methyl]prop-2-enamide.
What is the SMILES notation for 2-[(S)-methoxy(phenyl)methyl]prop-2-enamide?
The canonical SMILES for 2-[(S)-methoxy(phenyl)methyl]prop-2-enamide is C=C(C(N)=O)[C@@H](OC)c1ccccc1.
What is the InChIKey of 2-[(S)-methoxy(phenyl)methyl]prop-2-enamide?
The InChIKey is ZCJSKQLZQBEELV-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13NO2/c1-8(11(12)13)10(14-2)9-6-4-3-5-7-9/h3-7,10H,1H2,2H3,(H2,12,13)/t10-/m1/s1.
What are the key properties of 2-[(S)-methoxy(phenyl)methyl]prop-2-enamide?
2-[(S)-methoxy(phenyl)methyl]prop-2-enamide has a molecular weight of 191.23 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-methoxy(phenyl)methyl]prop-2-enamide is sourced from PubChem (CID 101229694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).