1-methylpyrrolidin-2-one;1-methyl-2H-pyrrol-5-one

C10H16N2O2 — CID 143349517

IUPAC1-methylpyrrolidin-2-one;1-methyl-2H-pyrrol-5-one
SMILESCN1CC=CC1=O.CN1CCCC1=O
InChIInChI=1S/C5H9NO.C5H7NO/c2*1-6-4-2-3-5(6)7/h2-4H2,1H3;2-3H,4H2,1H3
InChIKeyIUKKNFXZXDVDSN-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.25
Rot. Bonds

About 1-methylpyrrolidin-2-one;1-methyl-2H-pyrrol-5-one

1-methylpyrrolidin-2-one;1-methyl-2H-pyrrol-5-one (PubChem CID 143349517) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-methylpyrrolidin-2-one;1-methyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-methylpyrrolidin-2-one;1-methyl-2H-pyrrol-5-one
PubChem CID143349517
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name1-methylpyrrolidin-2-one;1-methyl-2H-pyrrol-5-one
SMILESCN1CC=CC1=O.CN1CCCC1=O
InChIInChI=1S/C5H9NO.C5H7NO/c2*1-6-4-2-3-5(6)7/h2-4H2,1H3;2-3H,4H2,1H3
InChIKeyIUKKNFXZXDVDSN-UHFFFAOYSA-N
XLogP0.25
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methylpyrrolidin-2-one;1-methyl-2H-pyrrol-5-one?
The IUPAC name of 1-methylpyrrolidin-2-one;1-methyl-2H-pyrrol-5-one (CID 143349517) is 1-methylpyrrolidin-2-one;1-methyl-2H-pyrrol-5-one.
What is the SMILES notation for 1-methylpyrrolidin-2-one;1-methyl-2H-pyrrol-5-one?
The canonical SMILES for 1-methylpyrrolidin-2-one;1-methyl-2H-pyrrol-5-one is CN1CC=CC1=O.CN1CCCC1=O.
What is the InChIKey of 1-methylpyrrolidin-2-one;1-methyl-2H-pyrrol-5-one?
The InChIKey is IUKKNFXZXDVDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.C5H7NO/c2*1-6-4-2-3-5(6)7/h2-4H2,1H3;2-3H,4H2,1H3.
What are the key properties of 1-methylpyrrolidin-2-one;1-methyl-2H-pyrrol-5-one?
1-methylpyrrolidin-2-one;1-methyl-2H-pyrrol-5-one has a molecular weight of 196.25 g/mol, XLogP of 0.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrrolidin-2-one;1-methyl-2H-pyrrol-5-one is sourced from PubChem (CID 143349517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).