1-(3-ethylpyrrolidin-1-yl)-3-pyrrolidin-3-ylpropan-1-one

C13H24N2O — CID 115774867

IUPAC1-(3-ethylpyrrolidin-1-yl)-3-pyrrolidin-3-ylpropan-1-one
SMILESCCC1CCN(C(=O)CCC2CCNC2)C1
InChIInChI=1S/C13H24N2O/c1-2-11-6-8-15(10-11)13(16)4-3-12-5-7-14-9-12/h11-12,14H,2-10H2,1H3
InChIKeyMFEDCWLVEOHPCN-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.63
Rot. Bonds4

About 1-(3-ethylpyrrolidin-1-yl)-3-pyrrolidin-3-ylpropan-1-one

1-(3-ethylpyrrolidin-1-yl)-3-pyrrolidin-3-ylpropan-1-one (PubChem CID 115774867) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-(3-ethylpyrrolidin-1-yl)-3-pyrrolidin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(3-ethylpyrrolidin-1-yl)-3-pyrrolidin-3-ylpropan-1-one
PubChem CID115774867
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-(3-ethylpyrrolidin-1-yl)-3-pyrrolidin-3-ylpropan-1-one
SMILESCCC1CCN(C(=O)CCC2CCNC2)C1
InChIInChI=1S/C13H24N2O/c1-2-11-6-8-15(10-11)13(16)4-3-12-5-7-14-9-12/h11-12,14H,2-10H2,1H3
InChIKeyMFEDCWLVEOHPCN-UHFFFAOYSA-N
XLogP1.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-ethylpyrrolidin-1-yl)-3-pyrrolidin-3-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(azetidin-3-yl)-1-(3-ethylpyrrolidin-1-yl)ethanone
CID 115740816
1-[3-(dimethylamino)pyrrolidin-1-yl]-3-piperidin-3-ylpropan-1-one
CID 63167273
1-(3-ethylpyrrolidin-1-yl)-2-iodoethanone
CID 134471128
1-(3-ethylpyrrolidin-1-yl)propan-1-one
CID 90392056
1-(3-ethylpiperidin-1-yl)-2-piperidin-3-ylethanone
CID 62689348
3-piperidin-4-yl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 103876554
1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyrrolidin-3-ylpropan-1-one
CID 114409316
1-[3-(hydroxymethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 62212438
2-(azetidin-3-yloxy)-1-(3-ethylpyrrolidin-1-yl)ethanone
CID 119821173
1-(3-hydroxy-3-methylazetidin-1-yl)-3-piperidin-3-ylpropan-1-one
CID 107219335
methyl 1-(3-piperidin-4-ylpropanoyl)piperidine-4-carboxylate
CID 62212418
1-pyrrolidin-3-ylhexan-3-one
CID 116605913

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylpyrrolidin-1-yl)-3-pyrrolidin-3-ylpropan-1-one?
The IUPAC name of 1-(3-ethylpyrrolidin-1-yl)-3-pyrrolidin-3-ylpropan-1-one (CID 115774867) is 1-(3-ethylpyrrolidin-1-yl)-3-pyrrolidin-3-ylpropan-1-one.
What is the SMILES notation for 1-(3-ethylpyrrolidin-1-yl)-3-pyrrolidin-3-ylpropan-1-one?
The canonical SMILES for 1-(3-ethylpyrrolidin-1-yl)-3-pyrrolidin-3-ylpropan-1-one is CCC1CCN(C(=O)CCC2CCNC2)C1.
What is the InChIKey of 1-(3-ethylpyrrolidin-1-yl)-3-pyrrolidin-3-ylpropan-1-one?
The InChIKey is MFEDCWLVEOHPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-2-11-6-8-15(10-11)13(16)4-3-12-5-7-14-9-12/h11-12,14H,2-10H2,1H3.
What are the key properties of 1-(3-ethylpyrrolidin-1-yl)-3-pyrrolidin-3-ylpropan-1-one?
1-(3-ethylpyrrolidin-1-yl)-3-pyrrolidin-3-ylpropan-1-one has a molecular weight of 224.35 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylpyrrolidin-1-yl)-3-pyrrolidin-3-ylpropan-1-one is sourced from PubChem (CID 115774867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).