4,4-dimethylpyrrolidin-2-one

C6H11NO — CID 637593

IUPAC4,4-dimethylpyrrolidin-2-one
SMILESCC1(C)CNC(=O)C1
InChIInChI=1S/C6H11NO/c1-6(2)3-5(8)7-4-6/h3-4H2,1-2H3,(H,7,8)
InChIKeyHGVPKAGCVCGRDQ-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.53
Rot. Bonds

About 4,4-dimethylpyrrolidin-2-one

4,4-dimethylpyrrolidin-2-one (PubChem CID 637593) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 4,4-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name4,4-dimethylpyrrolidin-2-one
PubChem CID637593
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name4,4-dimethylpyrrolidin-2-one
SMILESCC1(C)CNC(=O)C1
InChIInChI=1S/C6H11NO/c1-6(2)3-5(8)7-4-6/h3-4H2,1-2H3,(H,7,8)
InChIKeyHGVPKAGCVCGRDQ-UHFFFAOYSA-N
XLogP0.53
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 ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethylpyrrolidin-2-one?
The IUPAC name of 4,4-dimethylpyrrolidin-2-one (CID 637593) is 4,4-dimethylpyrrolidin-2-one.
What is the SMILES notation for 4,4-dimethylpyrrolidin-2-one?
The canonical SMILES for 4,4-dimethylpyrrolidin-2-one is CC1(C)CNC(=O)C1.
What is the InChIKey of 4,4-dimethylpyrrolidin-2-one?
The InChIKey is HGVPKAGCVCGRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-6(2)3-5(8)7-4-6/h3-4H2,1-2H3,(H,7,8).
What are the key properties of 4,4-dimethylpyrrolidin-2-one?
4,4-dimethylpyrrolidin-2-one has a molecular weight of 113.16 g/mol, XLogP of 0.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylpyrrolidin-2-one is sourced from PubChem (CID 637593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).