2-(3-phenylpropyl)oxirane-2-carboxamide

C12H15NO2 — CID 12932126

IUPAC2-(3-phenylpropyl)oxirane-2-carboxamide
SMILESNC(=O)C1(CCCc2ccccc2)CO1
InChIInChI=1S/C12H15NO2/c13-11(14)12(9-15-12)8-4-7-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H2,13,14)
InChIKeyFRCUSHXWBYNEAV-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.26
Rot. Bonds5

About 2-(3-phenylpropyl)oxirane-2-carboxamide

2-(3-phenylpropyl)oxirane-2-carboxamide (PubChem CID 12932126) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(3-phenylpropyl)oxirane-2-carboxamide.

Molecular Properties

Compound Name2-(3-phenylpropyl)oxirane-2-carboxamide
PubChem CID12932126
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-(3-phenylpropyl)oxirane-2-carboxamide
SMILESNC(=O)C1(CCCc2ccccc2)CO1
InChIInChI=1S/C12H15NO2/c13-11(14)12(9-15-12)8-4-7-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H2,13,14)
InChIKeyFRCUSHXWBYNEAV-UHFFFAOYSA-N
XLogP1.26
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.26
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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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpropyl)oxirane-2-carboxamide?
The IUPAC name of 2-(3-phenylpropyl)oxirane-2-carboxamide (CID 12932126) is 2-(3-phenylpropyl)oxirane-2-carboxamide.
What is the SMILES notation for 2-(3-phenylpropyl)oxirane-2-carboxamide?
The canonical SMILES for 2-(3-phenylpropyl)oxirane-2-carboxamide is NC(=O)C1(CCCc2ccccc2)CO1.
What is the InChIKey of 2-(3-phenylpropyl)oxirane-2-carboxamide?
The InChIKey is FRCUSHXWBYNEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c13-11(14)12(9-15-12)8-4-7-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H2,13,14).
What are the key properties of 2-(3-phenylpropyl)oxirane-2-carboxamide?
2-(3-phenylpropyl)oxirane-2-carboxamide has a molecular weight of 205.26 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpropyl)oxirane-2-carboxamide is sourced from PubChem (CID 12932126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).