ethane;1,3-oxazolidin-2-one;pyrrolidin-2-one

C13H30N2O3 — CID 158204272

IUPACethane;1,3-oxazolidin-2-one;pyrrolidin-2-one
SMILESCC.CC.CC.O=C1CCCN1.O=C1NCCO1
InChIInChI=1S/C4H7NO.C3H5NO2.3C2H6/c6-4-2-1-3-5-4;5-3-4-1-2-6-3;3*1-2/h1-3H2,(H,5,6);1-2H2,(H,4,5);3*1-2H3
InChIKeyGBHOCWOSQIVVDV-UHFFFAOYSA-N
MW262.39 g/mol
LogP2.70
Rot. Bonds

About ethane;1,3-oxazolidin-2-one;pyrrolidin-2-one

ethane;1,3-oxazolidin-2-one;pyrrolidin-2-one (PubChem CID 158204272) has the molecular formula C13H30N2O3 and a molecular weight of 262.39 g/mol. Its IUPAC name is ethane;1,3-oxazolidin-2-one;pyrrolidin-2-one.

Molecular Properties

Compound Nameethane;1,3-oxazolidin-2-one;pyrrolidin-2-one
PubChem CID158204272
Molecular FormulaC13H30N2O3
Molecular Weight262.39 g/mol
Exact Mass262.23
IUPAC Nameethane;1,3-oxazolidin-2-one;pyrrolidin-2-one
SMILESCC.CC.CC.O=C1CCCN1.O=C1NCCO1
InChIInChI=1S/C4H7NO.C3H5NO2.3C2H6/c6-4-2-1-3-5-4;5-3-4-1-2-6-3;3*1-2/h1-3H2,(H,5,6);1-2H2,(H,4,5);3*1-2H3
InChIKeyGBHOCWOSQIVVDV-UHFFFAOYSA-N
XLogP2.70
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethane;1,3-oxazolidin-2-one;pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;1,3-oxazolidin-2-one;pyrrolidin-2-one?
The IUPAC name of ethane;1,3-oxazolidin-2-one;pyrrolidin-2-one (CID 158204272) is ethane;1,3-oxazolidin-2-one;pyrrolidin-2-one.
What is the SMILES notation for ethane;1,3-oxazolidin-2-one;pyrrolidin-2-one?
The canonical SMILES for ethane;1,3-oxazolidin-2-one;pyrrolidin-2-one is CC.CC.CC.O=C1CCCN1.O=C1NCCO1.
What is the InChIKey of ethane;1,3-oxazolidin-2-one;pyrrolidin-2-one?
The InChIKey is GBHOCWOSQIVVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.C3H5NO2.3C2H6/c6-4-2-1-3-5-4;5-3-4-1-2-6-3;3*1-2/h1-3H2,(H,5,6);1-2H2,(H,4,5);3*1-2H3.
What are the key properties of ethane;1,3-oxazolidin-2-one;pyrrolidin-2-one?
ethane;1,3-oxazolidin-2-one;pyrrolidin-2-one has a molecular weight of 262.39 g/mol, XLogP of 2.70, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,3-oxazolidin-2-one;pyrrolidin-2-one is sourced from PubChem (CID 158204272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).