4-[(dimethylamino)methyl]pyrrolidin-2-one

C7H14N2O — CID 59591617

IUPAC4-[(dimethylamino)methyl]pyrrolidin-2-one
SMILESCN(C)CC1CNC(=O)C1
InChIInChI=1S/C7H14N2O/c1-9(2)5-6-3-7(10)8-4-6/h6H,3-5H2,1-2H3,(H,8,10)
InChIKeyBQPXIEDTEGJGFX-UHFFFAOYSA-N
MW142.20 g/mol
LogP-0.32
Rot. Bonds2

About 4-[(dimethylamino)methyl]pyrrolidin-2-one

4-[(dimethylamino)methyl]pyrrolidin-2-one (PubChem CID 59591617) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]pyrrolidin-2-one
PubChem CID59591617
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name4-[(dimethylamino)methyl]pyrrolidin-2-one
SMILESCN(C)CC1CNC(=O)C1
InChIInChI=1S/C7H14N2O/c1-9(2)5-6-3-7(10)8-4-6/h6H,3-5H2,1-2H3,(H,8,10)
InChIKeyBQPXIEDTEGJGFX-UHFFFAOYSA-N
XLogP-0.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]pyrrolidin-2-one?
The IUPAC name of 4-[(dimethylamino)methyl]pyrrolidin-2-one (CID 59591617) is 4-[(dimethylamino)methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[(dimethylamino)methyl]pyrrolidin-2-one?
The canonical SMILES for 4-[(dimethylamino)methyl]pyrrolidin-2-one is CN(C)CC1CNC(=O)C1.
What is the InChIKey of 4-[(dimethylamino)methyl]pyrrolidin-2-one?
The InChIKey is BQPXIEDTEGJGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-9(2)5-6-3-7(10)8-4-6/h6H,3-5H2,1-2H3,(H,8,10).
What are the key properties of 4-[(dimethylamino)methyl]pyrrolidin-2-one?
4-[(dimethylamino)methyl]pyrrolidin-2-one has a molecular weight of 142.20 g/mol, XLogP of -0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]pyrrolidin-2-one is sourced from PubChem (CID 59591617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).