4-[(3,4-dimethylpyrrol-1-yl)methyl]pyrrolidin-2-one

C11H16N2O — CID 131002490

IUPAC4-[(3,4-dimethylpyrrol-1-yl)methyl]pyrrolidin-2-one
SMILESCc1cn(CC2CNC(=O)C2)cc1C
InChIInChI=1S/C11H16N2O/c1-8-5-13(6-9(8)2)7-10-3-11(14)12-4-10/h5-6,10H,3-4,7H2,1-2H3,(H,12,14)
InChIKeyLHBZPVQSESCSBR-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.24
Rot. Bonds2

About 4-[(3,4-dimethylpyrrol-1-yl)methyl]pyrrolidin-2-one

4-[(3,4-dimethylpyrrol-1-yl)methyl]pyrrolidin-2-one (PubChem CID 131002490) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-[(3,4-dimethylpyrrol-1-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(3,4-dimethylpyrrol-1-yl)methyl]pyrrolidin-2-one
PubChem CID131002490
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name4-[(3,4-dimethylpyrrol-1-yl)methyl]pyrrolidin-2-one
SMILESCc1cn(CC2CNC(=O)C2)cc1C
InChIInChI=1S/C11H16N2O/c1-8-5-13(6-9(8)2)7-10-3-11(14)12-4-10/h5-6,10H,3-4,7H2,1-2H3,(H,12,14)
InChIKeyLHBZPVQSESCSBR-UHFFFAOYSA-N
XLogP1.24
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylpyrrol-1-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 4-[(3,4-dimethylpyrrol-1-yl)methyl]pyrrolidin-2-one (CID 131002490) is 4-[(3,4-dimethylpyrrol-1-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[(3,4-dimethylpyrrol-1-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 4-[(3,4-dimethylpyrrol-1-yl)methyl]pyrrolidin-2-one is Cc1cn(CC2CNC(=O)C2)cc1C.
What is the InChIKey of 4-[(3,4-dimethylpyrrol-1-yl)methyl]pyrrolidin-2-one?
The InChIKey is LHBZPVQSESCSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8-5-13(6-9(8)2)7-10-3-11(14)12-4-10/h5-6,10H,3-4,7H2,1-2H3,(H,12,14).
What are the key properties of 4-[(3,4-dimethylpyrrol-1-yl)methyl]pyrrolidin-2-one?
4-[(3,4-dimethylpyrrol-1-yl)methyl]pyrrolidin-2-one has a molecular weight of 192.26 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylpyrrol-1-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 131002490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).