1-(3-amino-4-methylpyrrolidin-1-yl)-3-cyclopentylpropan-1-one

C13H24N2O — CID 103575919

IUPAC1-(3-amino-4-methylpyrrolidin-1-yl)-3-cyclopentylpropan-1-one
SMILESCC1CN(C(=O)CCC2CCCC2)CC1N
InChIInChI=1S/C13H24N2O/c1-10-8-15(9-12(10)14)13(16)7-6-11-4-2-3-5-11/h10-12H,2-9,14H2,1H3
InChIKeyZOZWBSHCGOKGPN-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.76
Rot. Bonds3

About 1-(3-amino-4-methylpyrrolidin-1-yl)-3-cyclopentylpropan-1-one

1-(3-amino-4-methylpyrrolidin-1-yl)-3-cyclopentylpropan-1-one (PubChem CID 103575919) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-(3-amino-4-methylpyrrolidin-1-yl)-3-cyclopentylpropan-1-one.

Molecular Properties

Compound Name1-(3-amino-4-methylpyrrolidin-1-yl)-3-cyclopentylpropan-1-one
PubChem CID103575919
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-(3-amino-4-methylpyrrolidin-1-yl)-3-cyclopentylpropan-1-one
SMILESCC1CN(C(=O)CCC2CCCC2)CC1N
InChIInChI=1S/C13H24N2O/c1-10-8-15(9-12(10)14)13(16)7-6-11-4-2-3-5-11/h10-12H,2-9,14H2,1H3
InChIKeyZOZWBSHCGOKGPN-UHFFFAOYSA-N
XLogP1.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[(3R)-3-aminopiperidin-1-yl]-3-cyclohexylpropan-1-one
CID 102978602
3-cyclopentyl-1-[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]propan-1-one
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4-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]pentan-1-one;hydrochloride
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3-cyclopentyl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one
CID 81424634
1-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-3-cyclopentylpropan-1-one
CID 119715746
3-cyclopropyl-1-[(3R,4R)-3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 72929038
1-(3-amino-4-methylpyrrolidin-1-yl)ethanone
CID 82594406
4-(3-cyclopentylpropanoyl)-1,4-diazepane-1-carboxamide
CID 143680696
methyl 1-(3-cyclopentylpropanoyl)piperidine-3-carboxylate
CID 78919049
(3S,4S)-1-(3-cyclohexylpropanoyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methylpyrrolidin-1-yl)-3-cyclopentylpropan-1-one?
The IUPAC name of 1-(3-amino-4-methylpyrrolidin-1-yl)-3-cyclopentylpropan-1-one (CID 103575919) is 1-(3-amino-4-methylpyrrolidin-1-yl)-3-cyclopentylpropan-1-one.
What is the SMILES notation for 1-(3-amino-4-methylpyrrolidin-1-yl)-3-cyclopentylpropan-1-one?
The canonical SMILES for 1-(3-amino-4-methylpyrrolidin-1-yl)-3-cyclopentylpropan-1-one is CC1CN(C(=O)CCC2CCCC2)CC1N.
What is the InChIKey of 1-(3-amino-4-methylpyrrolidin-1-yl)-3-cyclopentylpropan-1-one?
The InChIKey is ZOZWBSHCGOKGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-10-8-15(9-12(10)14)13(16)7-6-11-4-2-3-5-11/h10-12H,2-9,14H2,1H3.
What are the key properties of 1-(3-amino-4-methylpyrrolidin-1-yl)-3-cyclopentylpropan-1-one?
1-(3-amino-4-methylpyrrolidin-1-yl)-3-cyclopentylpropan-1-one has a molecular weight of 224.35 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-methylpyrrolidin-1-yl)-3-cyclopentylpropan-1-one is sourced from PubChem (CID 103575919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).