3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butan-2-one

C11H22N2O — CID 62889835

IUPAC3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butan-2-one
SMILESCC(=O)C(C)N1CCCC1CN(C)C
InChIInChI=1S/C11H22N2O/c1-9(10(2)14)13-7-5-6-11(13)8-12(3)4/h9,11H,5-8H2,1-4H3
InChIKeyFGKXJPPGZLRKCD-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.99
Rot. Bonds4

About 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butan-2-one

3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butan-2-one (PubChem CID 62889835) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butan-2-one.

Molecular Properties

Compound Name3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butan-2-one
PubChem CID62889835
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butan-2-one
SMILESCC(=O)C(C)N1CCCC1CN(C)C
InChIInChI=1S/C11H22N2O/c1-9(10(2)14)13-7-5-6-11(13)8-12(3)4/h9,11H,5-8H2,1-4H3
InChIKeyFGKXJPPGZLRKCD-UHFFFAOYSA-N
XLogP0.99
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butanamide
CID 62900480
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-methylbutanehydrazide
CID 63573193
ethyl 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butanoate
CID 55128089
1-(2,4-difluorophenyl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-1-one
CID 62888795
N,N-dimethyl-2-[2-(2-oxopropyl)pyrrolidin-1-yl]propanamide
CID 79546990
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-2-one
CID 62888278
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N,N-dimethylpropanamide
CID 62014138
4-amino-3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,N-dimethylbutanamide
CID 66430640
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N'-hydroxybutanimidamide
CID 76975863
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butanenitrile
CID 62886111
N-propan-2-yl-N-[(1-propan-2-ylpiperidin-2-yl)methyl]acetamide
CID 163258628
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-oxoacetic acid
CID 62888059

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butan-2-one?
The IUPAC name of 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butan-2-one (CID 62889835) is 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butan-2-one.
What is the SMILES notation for 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butan-2-one?
The canonical SMILES for 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butan-2-one is CC(=O)C(C)N1CCCC1CN(C)C.
What is the InChIKey of 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butan-2-one?
The InChIKey is FGKXJPPGZLRKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9(10(2)14)13-7-5-6-11(13)8-12(3)4/h9,11H,5-8H2,1-4H3.
What are the key properties of 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butan-2-one?
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butan-2-one has a molecular weight of 198.31 g/mol, XLogP of 0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butan-2-one is sourced from PubChem (CID 62889835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).