3-(1-cyclopropylethylamino)-1-pyrrolidin-1-ylpropan-1-one

C12H22N2O — CID 43203458

IUPAC3-(1-cyclopropylethylamino)-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(NCCC(=O)N1CCCC1)C1CC1
InChIInChI=1S/C12H22N2O/c1-10(11-4-5-11)13-7-6-12(15)14-8-2-3-9-14/h10-11,13H,2-9H2,1H3
InChIKeyBAUJXYYPYQYIJK-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.39
Rot. Bonds5

About 3-(1-cyclopropylethylamino)-1-pyrrolidin-1-ylpropan-1-one

3-(1-cyclopropylethylamino)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 43203458) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-(1-cyclopropylethylamino)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(1-cyclopropylethylamino)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID43203458
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name3-(1-cyclopropylethylamino)-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(NCCC(=O)N1CCCC1)C1CC1
InChIInChI=1S/C12H22N2O/c1-10(11-4-5-11)13-7-6-12(15)14-8-2-3-9-14/h10-11,13H,2-9H2,1H3
InChIKeyBAUJXYYPYQYIJK-UHFFFAOYSA-N
XLogP1.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-cyclopropylethylamino)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 119145626
N-cyclopentyl-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]propanamide
CID 115571861
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(propan-2-ylamino)propan-1-one
CID 113264108
1-(4,4-dimethylpiperidin-1-yl)-3-(propan-2-ylamino)propan-1-one
CID 62930053
3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1-piperidin-1-ylpropan-1-one
CID 86794928
1-(4-methylsulfanylazepan-1-yl)-3-(propan-2-ylamino)propan-1-one
CID 114237053
1-(3-hydroxypiperidin-1-yl)-3-(propan-2-ylamino)propan-1-one
CID 60852155
3-[[cyclopropyl(phenyl)methyl]amino]-1-piperidin-1-ylpropan-1-one
CID 115753017
N-[1-[3-(propan-2-ylamino)propanoyl]piperidin-4-yl]propanamide
CID 54872195
2-[3-[1-(propylamino)ethyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 63852717
N,N-diethyl-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]propanamide
CID 115588925
1-piperidin-1-yl-2-[3-[1-(propylamino)ethyl]piperidin-1-yl]ethanone
CID 63855346

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropylethylamino)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-(1-cyclopropylethylamino)-1-pyrrolidin-1-ylpropan-1-one (CID 43203458) is 3-(1-cyclopropylethylamino)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(1-cyclopropylethylamino)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-(1-cyclopropylethylamino)-1-pyrrolidin-1-ylpropan-1-one is CC(NCCC(=O)N1CCCC1)C1CC1.
What is the InChIKey of 3-(1-cyclopropylethylamino)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is BAUJXYYPYQYIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-10(11-4-5-11)13-7-6-12(15)14-8-2-3-9-14/h10-11,13H,2-9H2,1H3.
What are the key properties of 3-(1-cyclopropylethylamino)-1-pyrrolidin-1-ylpropan-1-one?
3-(1-cyclopropylethylamino)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 210.32 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropylethylamino)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 43203458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).