N,2-dimethyloxirane-2-carboxamide

C5H9NO2 — CID 171036085

IUPACN,2-dimethyloxirane-2-carboxamide
SMILESCNC(=O)C1(C)CO1
InChIInChI=1S/C5H9NO2/c1-5(3-8-5)4(7)6-2/h3H2,1-2H3,(H,6,7)
InChIKeyVDERJCNXVDMMOS-UHFFFAOYSA-N
MW115.13 g/mol
LogP-0.48
Rot. Bonds1

About N,2-dimethyloxirane-2-carboxamide

N,2-dimethyloxirane-2-carboxamide (PubChem CID 171036085) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is N,2-dimethyloxirane-2-carboxamide.

Molecular Properties

Compound NameN,2-dimethyloxirane-2-carboxamide
PubChem CID171036085
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC NameN,2-dimethyloxirane-2-carboxamide
SMILESCNC(=O)C1(C)CO1
InChIInChI=1S/C5H9NO2/c1-5(3-8-5)4(7)6-2/h3H2,1-2H3,(H,6,7)
InChIKeyVDERJCNXVDMMOS-UHFFFAOYSA-N
XLogP-0.48
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 5-0.48
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 N,2-dimethyloxirane-2-carboxamide?
The IUPAC name of N,2-dimethyloxirane-2-carboxamide (CID 171036085) is N,2-dimethyloxirane-2-carboxamide.
What is the SMILES notation for N,2-dimethyloxirane-2-carboxamide?
The canonical SMILES for N,2-dimethyloxirane-2-carboxamide is CNC(=O)C1(C)CO1.
What is the InChIKey of N,2-dimethyloxirane-2-carboxamide?
The InChIKey is VDERJCNXVDMMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c1-5(3-8-5)4(7)6-2/h3H2,1-2H3,(H,6,7).
What are the key properties of N,2-dimethyloxirane-2-carboxamide?
N,2-dimethyloxirane-2-carboxamide has a molecular weight of 115.13 g/mol, XLogP of -0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyloxirane-2-carboxamide is sourced from PubChem (CID 171036085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).