methanol;pyrrolidin-2-one

C5H11NO2 — CID 67031801

IUPACmethanol;pyrrolidin-2-one
SMILESCO.O=C1CCCN1
InChIInChI=1S/C4H7NO.CH4O/c6-4-2-1-3-5-4;1-2/h1-3H2,(H,5,6);2H,1H3
InChIKeyWWHQEEATFLHKGK-UHFFFAOYSA-N
MW117.15 g/mol
LogP-0.50
Rot. Bonds

About methanol;pyrrolidin-2-one

methanol;pyrrolidin-2-one (PubChem CID 67031801) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is methanol;pyrrolidin-2-one.

Molecular Properties

Compound Namemethanol;pyrrolidin-2-one
PubChem CID67031801
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Namemethanol;pyrrolidin-2-one
SMILESCO.O=C1CCCN1
InChIInChI=1S/C4H7NO.CH4O/c6-4-2-1-3-5-4;1-2/h1-3H2,(H,5,6);2H,1H3
InChIKeyWWHQEEATFLHKGK-UHFFFAOYSA-N
XLogP-0.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methanol;pyrrolidin-2-one?
The IUPAC name of methanol;pyrrolidin-2-one (CID 67031801) is methanol;pyrrolidin-2-one.
What is the SMILES notation for methanol;pyrrolidin-2-one?
The canonical SMILES for methanol;pyrrolidin-2-one is CO.O=C1CCCN1.
What is the InChIKey of methanol;pyrrolidin-2-one?
The InChIKey is WWHQEEATFLHKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.CH4O/c6-4-2-1-3-5-4;1-2/h1-3H2,(H,5,6);2H,1H3.
What are the key properties of methanol;pyrrolidin-2-one?
methanol;pyrrolidin-2-one has a molecular weight of 117.15 g/mol, XLogP of -0.50, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;pyrrolidin-2-one is sourced from PubChem (CID 67031801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).