2-(3-phenyloxiran-2-yl)acetamide

C10H11NO2 — CID 130019466

IUPAC2-(3-phenyloxiran-2-yl)acetamide
SMILESNC(=O)CC1OC1c1ccccc1
InChIInChI=1S/C10H11NO2/c11-9(12)6-8-10(13-8)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H2,11,12)
InChIKeyQOUDZWZPYOWCQN-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.00
Rot. Bonds3

About 2-(3-phenyloxiran-2-yl)acetamide

2-(3-phenyloxiran-2-yl)acetamide (PubChem CID 130019466) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 2-(3-phenyloxiran-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-phenyloxiran-2-yl)acetamide
PubChem CID130019466
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name2-(3-phenyloxiran-2-yl)acetamide
SMILESNC(=O)CC1OC1c1ccccc1
InChIInChI=1S/C10H11NO2/c11-9(12)6-8-10(13-8)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H2,11,12)
InChIKeyQOUDZWZPYOWCQN-UHFFFAOYSA-N
XLogP1.00
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[(2R,3S)-3-phenyloxiran-2-yl]acetic acid
CID 135891060
(2R,3S)-3-phenyloxirane-2-carboxamide
CID 10931765
[(2R,3S)-3-phenyloxiran-2-yl]methanamine
CID 10964671
1-phenyl-3-[(2S,3R)-3-phenyloxiran-2-yl]propan-1-one
CID 11184316
1-phenyl-3-[(2R,3R)-3-phenyloxiran-2-yl]propan-1-one
CID 13215527
(2R,3S)-2-(chloromethyl)-3-phenyloxirane
CID 55301046
(2S,3S)-3-phenyloxirane-2-carboxylic acid
CID 906621
(2S,3R)-2-(chloromethyl)-3-phenyloxirane
CID 11052058
potassium 3-phenyloxirane-2-carboxylic acid
CID 54603648
CID 131880928
CID 131880928
ethane;2-(3-phenyloxiran-2-yl)ethanol
CID 143522200
2,2,2-trifluoro-N-[(3-phenyloxiran-2-yl)methyl]acetamide
CID 14650569

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenyloxiran-2-yl)acetamide?
The IUPAC name of 2-(3-phenyloxiran-2-yl)acetamide (CID 130019466) is 2-(3-phenyloxiran-2-yl)acetamide.
What is the SMILES notation for 2-(3-phenyloxiran-2-yl)acetamide?
The canonical SMILES for 2-(3-phenyloxiran-2-yl)acetamide is NC(=O)CC1OC1c1ccccc1.
What is the InChIKey of 2-(3-phenyloxiran-2-yl)acetamide?
The InChIKey is QOUDZWZPYOWCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c11-9(12)6-8-10(13-8)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H2,11,12).
What are the key properties of 2-(3-phenyloxiran-2-yl)acetamide?
2-(3-phenyloxiran-2-yl)acetamide has a molecular weight of 177.20 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenyloxiran-2-yl)acetamide is sourced from PubChem (CID 130019466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).