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

C10H20N2O — CID 62888278

IUPAC1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-2-one
SMILESCC(=O)CN1CCCC1CN(C)C
InChIInChI=1S/C10H20N2O/c1-9(13)7-12-6-4-5-10(12)8-11(2)3/h10H,4-8H2,1-3H3
InChIKeyIJMZSLGJNAFIOL-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.60
Rot. Bonds4

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

1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-2-one (PubChem CID 62888278) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-2-one.

Molecular Properties

Compound Name1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-2-one
PubChem CID62888278
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-2-one
SMILESCC(=O)CN1CCCC1CN(C)C
InChIInChI=1S/C10H20N2O/c1-9(13)7-12-6-4-5-10(12)8-11(2)3/h10H,4-8H2,1-3H3
InChIKeyIJMZSLGJNAFIOL-UHFFFAOYSA-N
XLogP0.60
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(dimethylamino)methyl]piperidin-1-yl]acetamide
CID 14209997
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanethioamide
CID 62887360
2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]prop-2-ene-1-thiol
CID 103073163
N,N-dimethyl-2-[2-(2-oxopropyl)pyrrolidin-1-yl]acetamide
CID 79546567
2-[(2R)-2-[[cyclopropyl(methyl)amino]methyl]pyrrolidin-1-yl]acetic acid
CID 96554925
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(4-iodophenyl)ethanone
CID 62889137
3-[3-[[2-[2-(dimethylamino(113C)methyl)(2,3,4,5-13C4,115N)azolidin-1-yl]acetyl](15N)amino]propanoylamino](113C)propanoic acid
CID 129148345
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(4-propan-2-ylphenyl)ethanone
CID 62889837
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-methylthiophen-2-yl)ethanone
CID 62889309
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-oxoacetic acid
CID 62888059
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butan-2-one
CID 62889835
ethyl 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylpropanoate
CID 62888613

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-2-one?
The IUPAC name of 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-2-one (CID 62888278) is 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-2-one.
What is the SMILES notation for 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-2-one?
The canonical SMILES for 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-2-one is CC(=O)CN1CCCC1CN(C)C.
What is the InChIKey of 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-2-one?
The InChIKey is IJMZSLGJNAFIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-9(13)7-12-6-4-5-10(12)8-11(2)3/h10H,4-8H2,1-3H3.
What are the key properties of 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-2-one?
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-2-one has a molecular weight of 184.28 g/mol, XLogP of 0.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-2-one is sourced from PubChem (CID 62888278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).