N,N-dimethyloxirene-2-carboxamide

C5H7NO2 — CID 90002184

IUPACN,N-dimethyloxirene-2-carboxamide
SMILESCN(C)C(=O)C1=CO1
InChIInChI=1S/C5H7NO2/c1-6(2)5(7)4-3-8-4/h3H,1-2H3
InChIKeyZCERSTMXABBACZ-UHFFFAOYSA-N
MW113.12 g/mol
LogP-0.05
Rot. Bonds1

About N,N-dimethyloxirene-2-carboxamide

N,N-dimethyloxirene-2-carboxamide (PubChem CID 90002184) has the molecular formula C5H7NO2 and a molecular weight of 113.12 g/mol. Its IUPAC name is N,N-dimethyloxirene-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyloxirene-2-carboxamide
PubChem CID90002184
Molecular FormulaC5H7NO2
Molecular Weight113.12 g/mol
Exact Mass113.05
IUPAC NameN,N-dimethyloxirene-2-carboxamide
SMILESCN(C)C(=O)C1=CO1
InChIInChI=1S/C5H7NO2/c1-6(2)5(7)4-3-8-4/h3H,1-2H3
InChIKeyZCERSTMXABBACZ-UHFFFAOYSA-N
XLogP-0.05
TPSA32.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyloxirene-2-carboxamide?
The IUPAC name of N,N-dimethyloxirene-2-carboxamide (CID 90002184) is N,N-dimethyloxirene-2-carboxamide.
What is the SMILES notation for N,N-dimethyloxirene-2-carboxamide?
The canonical SMILES for N,N-dimethyloxirene-2-carboxamide is CN(C)C(=O)C1=CO1.
What is the InChIKey of N,N-dimethyloxirene-2-carboxamide?
The InChIKey is ZCERSTMXABBACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2/c1-6(2)5(7)4-3-8-4/h3H,1-2H3.
What are the key properties of N,N-dimethyloxirene-2-carboxamide?
N,N-dimethyloxirene-2-carboxamide has a molecular weight of 113.12 g/mol, XLogP of -0.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyloxirene-2-carboxamide is sourced from PubChem (CID 90002184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).