3,4-dimethylpyrrolidin-2-one

C6H11NO — CID 13297684

IUPAC3,4-dimethylpyrrolidin-2-one
SMILESCC1CNC(=O)C1C
InChIInChI=1S/C6H11NO/c1-4-3-7-6(8)5(4)2/h4-5H,3H2,1-2H3,(H,7,8)
InChIKeyIAXUBUNOIDLOLR-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.39
Rot. Bonds

About 3,4-dimethylpyrrolidin-2-one

3,4-dimethylpyrrolidin-2-one (PubChem CID 13297684) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 3,4-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name3,4-dimethylpyrrolidin-2-one
PubChem CID13297684
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name3,4-dimethylpyrrolidin-2-one
SMILESCC1CNC(=O)C1C
InChIInChI=1S/C6H11NO/c1-4-3-7-6(8)5(4)2/h4-5H,3H2,1-2H3,(H,7,8)
InChIKeyIAXUBUNOIDLOLR-UHFFFAOYSA-N
XLogP0.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylpyrrolidin-2-one?
The IUPAC name of 3,4-dimethylpyrrolidin-2-one (CID 13297684) is 3,4-dimethylpyrrolidin-2-one.
What is the SMILES notation for 3,4-dimethylpyrrolidin-2-one?
The canonical SMILES for 3,4-dimethylpyrrolidin-2-one is CC1CNC(=O)C1C.
What is the InChIKey of 3,4-dimethylpyrrolidin-2-one?
The InChIKey is IAXUBUNOIDLOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-4-3-7-6(8)5(4)2/h4-5H,3H2,1-2H3,(H,7,8).
What are the key properties of 3,4-dimethylpyrrolidin-2-one?
3,4-dimethylpyrrolidin-2-one has a molecular weight of 113.16 g/mol, XLogP of 0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylpyrrolidin-2-one is sourced from PubChem (CID 13297684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).