1-[(dimethylamino)methyl]-5-methylpyrrolidin-2-one

C8H16N2O — CID 70332817

IUPAC1-[(dimethylamino)methyl]-5-methylpyrrolidin-2-one
SMILESCC1CCC(=O)N1CN(C)C
InChIInChI=1S/C8H16N2O/c1-7-4-5-8(11)10(7)6-9(2)3/h7H,4-6H2,1-3H3
InChIKeyBUSYYEOVVNHDKN-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.52
Rot. Bonds2

About 1-[(dimethylamino)methyl]-5-methylpyrrolidin-2-one

1-[(dimethylamino)methyl]-5-methylpyrrolidin-2-one (PubChem CID 70332817) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-[(dimethylamino)methyl]-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[(dimethylamino)methyl]-5-methylpyrrolidin-2-one
PubChem CID70332817
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-[(dimethylamino)methyl]-5-methylpyrrolidin-2-one
SMILESCC1CCC(=O)N1CN(C)C
InChIInChI=1S/C8H16N2O/c1-7-4-5-8(11)10(7)6-9(2)3/h7H,4-6H2,1-3H3
InChIKeyBUSYYEOVVNHDKN-UHFFFAOYSA-N
XLogP0.52
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(dimethylamino)methyl]-5-methylpyrrolidin-2-one?
The IUPAC name of 1-[(dimethylamino)methyl]-5-methylpyrrolidin-2-one (CID 70332817) is 1-[(dimethylamino)methyl]-5-methylpyrrolidin-2-one.
What is the SMILES notation for 1-[(dimethylamino)methyl]-5-methylpyrrolidin-2-one?
The canonical SMILES for 1-[(dimethylamino)methyl]-5-methylpyrrolidin-2-one is CC1CCC(=O)N1CN(C)C.
What is the InChIKey of 1-[(dimethylamino)methyl]-5-methylpyrrolidin-2-one?
The InChIKey is BUSYYEOVVNHDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-7-4-5-8(11)10(7)6-9(2)3/h7H,4-6H2,1-3H3.
What are the key properties of 1-[(dimethylamino)methyl]-5-methylpyrrolidin-2-one?
1-[(dimethylamino)methyl]-5-methylpyrrolidin-2-one has a molecular weight of 156.23 g/mol, XLogP of 0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(dimethylamino)methyl]-5-methylpyrrolidin-2-one is sourced from PubChem (CID 70332817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).