1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-aminopentan-1-one;hydrochloride

C12H23ClN2O — CID 119326391

IUPAC1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-aminopentan-1-one;hydrochloride
SMILESCCCC(N)C(=O)N1CC2CCCC2C1.Cl
InChIInChI=1S/C12H22N2O.ClH/c1-2-4-11(13)12(15)14-7-9-5-3-6-10(9)8-14;/h9-11H,2-8,13H2,1H3;1H
InChIKeyHBZPHHQBAUHTAJ-UHFFFAOYSA-N
MW246.78 g/mol
LogP1.79
Rot. Bonds3

About 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-aminopentan-1-one;hydrochloride

1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-aminopentan-1-one;hydrochloride (PubChem CID 119326391) has the molecular formula C12H23ClN2O and a molecular weight of 246.78 g/mol. Its IUPAC name is 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-aminopentan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-aminopentan-1-one;hydrochloride
PubChem CID119326391
Molecular FormulaC12H23ClN2O
Molecular Weight246.78 g/mol
Exact Mass246.15
IUPAC Name1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-aminopentan-1-one;hydrochloride
SMILESCCCC(N)C(=O)N1CC2CCCC2C1.Cl
InChIInChI=1S/C12H22N2O.ClH/c1-2-4-11(13)12(15)14-7-9-5-3-6-10(9)8-14;/h9-11H,2-8,13H2,1H3;1H
InChIKeyHBZPHHQBAUHTAJ-UHFFFAOYSA-N
XLogP1.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.78
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-aminopentan-1-one;hydrochloride with MolForge

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Related Compounds

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CID 79181119
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2-amino-1-(4-methylazepan-1-yl)pentan-1-one;hydrochloride
CID 119307771
(2S)-2-amino-1-(2,6-dimethylthiomorpholin-4-yl)pentan-1-one
CID 107569802
(2R)-2-amino-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentan-1-one
CID 103796395
2-amino-1-(2,6-dimethylmorpholin-4-yl)pentan-1-one
CID 43649994

Frequently Asked Questions

What is the IUPAC name of 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-aminopentan-1-one;hydrochloride?
The IUPAC name of 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-aminopentan-1-one;hydrochloride (CID 119326391) is 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-aminopentan-1-one;hydrochloride.
What is the SMILES notation for 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-aminopentan-1-one;hydrochloride?
The canonical SMILES for 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-aminopentan-1-one;hydrochloride is CCCC(N)C(=O)N1CC2CCCC2C1.Cl.
What is the InChIKey of 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-aminopentan-1-one;hydrochloride?
The InChIKey is HBZPHHQBAUHTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O.ClH/c1-2-4-11(13)12(15)14-7-9-5-3-6-10(9)8-14;/h9-11H,2-8,13H2,1H3;1H.
What are the key properties of 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-aminopentan-1-one;hydrochloride?
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-aminopentan-1-one;hydrochloride has a molecular weight of 246.78 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-aminopentan-1-one;hydrochloride is sourced from PubChem (CID 119326391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).