3-phenyl-N-prop-2-ynyloxaziridine-2-carboxamide

C11H10N2O2 — CID 134501050

IUPAC3-phenyl-N-prop-2-ynyloxaziridine-2-carboxamide
SMILESC#CCNC(=O)N1OC1c1ccccc1
InChIInChI=1S/C11H10N2O2/c1-2-8-12-11(14)13-10(15-13)9-6-4-3-5-7-9/h1,3-7,10H,8H2,(H,12,14)
InChIKeyGZMDJJKCOCJXMJ-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.28
Rot. Bonds2

About 3-phenyl-N-prop-2-ynyloxaziridine-2-carboxamide

3-phenyl-N-prop-2-ynyloxaziridine-2-carboxamide (PubChem CID 134501050) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 3-phenyl-N-prop-2-ynyloxaziridine-2-carboxamide.

Molecular Properties

Compound Name3-phenyl-N-prop-2-ynyloxaziridine-2-carboxamide
PubChem CID134501050
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name3-phenyl-N-prop-2-ynyloxaziridine-2-carboxamide
SMILESC#CCNC(=O)N1OC1c1ccccc1
InChIInChI=1S/C11H10N2O2/c1-2-8-12-11(14)13-10(15-13)9-6-4-3-5-7-9/h1,3-7,10H,8H2,(H,12,14)
InChIKeyGZMDJJKCOCJXMJ-UHFFFAOYSA-N
XLogP1.28
TPSA44.64 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-prop-2-ynyloxaziridine-2-carboxamide?
The IUPAC name of 3-phenyl-N-prop-2-ynyloxaziridine-2-carboxamide (CID 134501050) is 3-phenyl-N-prop-2-ynyloxaziridine-2-carboxamide.
What is the SMILES notation for 3-phenyl-N-prop-2-ynyloxaziridine-2-carboxamide?
The canonical SMILES for 3-phenyl-N-prop-2-ynyloxaziridine-2-carboxamide is C#CCNC(=O)N1OC1c1ccccc1.
What is the InChIKey of 3-phenyl-N-prop-2-ynyloxaziridine-2-carboxamide?
The InChIKey is GZMDJJKCOCJXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-2-8-12-11(14)13-10(15-13)9-6-4-3-5-7-9/h1,3-7,10H,8H2,(H,12,14).
What are the key properties of 3-phenyl-N-prop-2-ynyloxaziridine-2-carboxamide?
3-phenyl-N-prop-2-ynyloxaziridine-2-carboxamide has a molecular weight of 202.21 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-prop-2-ynyloxaziridine-2-carboxamide is sourced from PubChem (CID 134501050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).