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

C10H20N2O — CID 63090742

IUPAC1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC1CN(C)C
InChIInChI=1S/C10H20N2O/c1-4-10(13)12-7-5-6-9(12)8-11(2)3/h9H,4-8H2,1-3H3
InChIKeyVWPZZFOSWDRQOX-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.95
Rot. Bonds3

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

1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-1-one (PubChem CID 63090742) 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-1-one.

Molecular Properties

Compound Name1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-1-one
PubChem CID63090742
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC1CN(C)C
InChIInChI=1S/C10H20N2O/c1-4-10(13)12-7-5-6-9(12)8-11(2)3/h9H,4-8H2,1-3H3
InChIKeyVWPZZFOSWDRQOX-UHFFFAOYSA-N
XLogP0.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-oxoacetic acid
CID 62888059
1-[2-(chloromethyl)pyrrolidin-1-yl]propan-1-one
CID 63394674
2-(1-aminocyclobutyl)-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanone
CID 79854828
7-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]heptan-1-one
CID 62889816
(3-aminocyclopentyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 66007560
2-[(dimethylamino)methyl]pyrrolidine-1-carbohydrazide
CID 62887688
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705
2-(aminomethyl)-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylbutan-1-one
CID 113270081
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(2-hydroxyphenyl)ethanone
CID 80740437
1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
CID 79546453
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-oxobut-2-enoic acid
CID 76975757
2-[1-(aminomethyl)cyclohexyl]-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanone
CID 104678156

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-1-one (CID 63090742) is 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-1-one is CCC(=O)N1CCCC1CN(C)C.
What is the InChIKey of 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is VWPZZFOSWDRQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-4-10(13)12-7-5-6-9(12)8-11(2)3/h9H,4-8H2,1-3H3.
What are the key properties of 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-1-one?
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 184.28 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 63090742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).