3-[ethyl(methyl)amino]-1-pyrrolidin-1-ylpropan-1-one

C10H20N2O — CID 162750091

IUPAC3-[ethyl(methyl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCCN(C)CCC(=O)N1CCCC1
InChIInChI=1S/C10H20N2O/c1-3-11(2)9-6-10(13)12-7-4-5-8-12/h3-9H2,1-2H3
InChIKeyNUBLFKBMVRGBPT-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.95
Rot. Bonds4

About 3-[ethyl(methyl)amino]-1-pyrrolidin-1-ylpropan-1-one

3-[ethyl(methyl)amino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 162750091) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-[ethyl(methyl)amino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[ethyl(methyl)amino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID162750091
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name3-[ethyl(methyl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCCN(C)CCC(=O)N1CCCC1
InChIInChI=1S/C10H20N2O/c1-3-11(2)9-6-10(13)12-7-4-5-8-12/h3-9H2,1-2H3
InChIKeyNUBLFKBMVRGBPT-UHFFFAOYSA-N
XLogP0.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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

3-[ethyl(methyl)amino]propanoic acid;pyrrolidine-1-carboxamide
CID 68551332
ethane;1-pyrrolidin-1-ylbutan-1-one
CID 142223486
1,4-bis(azepan-1-yl)butane-1,4-dione
CID 5206430
2-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-1-piperidin-1-ylethanone
CID 58826563
3-[methyl-(3-morpholin-4-yl-3-oxopropyl)amino]-1-morpholin-4-ylpropan-1-one
CID 23422467
3-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanamide
CID 55028667
1-(azepan-1-yl)-3-(N-ethylanilino)propan-1-one
CID 109033514
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-prop-2-enylacetamide
CID 113115517
N-[2-(dimethylamino)ethyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 113117464
1-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]pentan-2-one
CID 62044659
3-[2-(dimethylamino)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 109013258
N-butan-2-yl-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
CID 113137008

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(methyl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[ethyl(methyl)amino]-1-pyrrolidin-1-ylpropan-1-one (CID 162750091) is 3-[ethyl(methyl)amino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[ethyl(methyl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[ethyl(methyl)amino]-1-pyrrolidin-1-ylpropan-1-one is CCN(C)CCC(=O)N1CCCC1.
What is the InChIKey of 3-[ethyl(methyl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is NUBLFKBMVRGBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-3-11(2)9-6-10(13)12-7-4-5-8-12/h3-9H2,1-2H3.
What are the key properties of 3-[ethyl(methyl)amino]-1-pyrrolidin-1-ylpropan-1-one?
3-[ethyl(methyl)amino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 184.28 g/mol, XLogP of 0.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(methyl)amino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 162750091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).