ethanol;1-methylpyrrolidin-2-one

C7H15NO2 — CID 18313719

IUPACethanol;1-methylpyrrolidin-2-one
SMILESCCO.CN1CCCC1=O
InChIInChI=1S/C5H9NO.C2H6O/c1-6-4-2-3-5(6)7;1-2-3/h2-4H2,1H3;3H,2H2,1H3
InChIKeyCRWIOTZGUJAUOZ-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.24
Rot. Bonds

About ethanol;1-methylpyrrolidin-2-one

ethanol;1-methylpyrrolidin-2-one (PubChem CID 18313719) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is ethanol;1-methylpyrrolidin-2-one.

Molecular Properties

Compound Nameethanol;1-methylpyrrolidin-2-one
PubChem CID18313719
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Nameethanol;1-methylpyrrolidin-2-one
SMILESCCO.CN1CCCC1=O
InChIInChI=1S/C5H9NO.C2H6O/c1-6-4-2-3-5(6)7;1-2-3/h2-4H2,1H3;3H,2H2,1H3
InChIKeyCRWIOTZGUJAUOZ-UHFFFAOYSA-N
XLogP0.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethanol;1-methylpyrrolidin-2-one?
The IUPAC name of ethanol;1-methylpyrrolidin-2-one (CID 18313719) is ethanol;1-methylpyrrolidin-2-one.
What is the SMILES notation for ethanol;1-methylpyrrolidin-2-one?
The canonical SMILES for ethanol;1-methylpyrrolidin-2-one is CCO.CN1CCCC1=O.
What is the InChIKey of ethanol;1-methylpyrrolidin-2-one?
The InChIKey is CRWIOTZGUJAUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.C2H6O/c1-6-4-2-3-5(6)7;1-2-3/h2-4H2,1H3;3H,2H2,1H3.
What are the key properties of ethanol;1-methylpyrrolidin-2-one?
ethanol;1-methylpyrrolidin-2-one has a molecular weight of 145.20 g/mol, XLogP of 0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;1-methylpyrrolidin-2-one is sourced from PubChem (CID 18313719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).