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

C11H20N2O — CID 115559774

IUPAC1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(methylamino)propan-1-one
SMILESCNCCC(=O)N1CC2CCCC2C1
InChIInChI=1S/C11H20N2O/c1-12-6-5-11(14)13-7-9-3-2-4-10(9)8-13/h9-10,12H,2-8H2,1H3
InChIKeyPTGJBTHTBUEZNG-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.85
Rot. Bonds3

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

1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(methylamino)propan-1-one (PubChem CID 115559774) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(methylamino)propan-1-one
PubChem CID115559774
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(methylamino)propan-1-one
SMILESCNCCC(=O)N1CC2CCCC2C1
InChIInChI=1S/C11H20N2O/c1-12-6-5-11(14)13-7-9-3-2-4-10(9)8-13/h9-10,12H,2-8H2,1H3
InChIKeyPTGJBTHTBUEZNG-UHFFFAOYSA-N
XLogP0.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4-(methylamino)butan-1-one
CID 54924244
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)butane-1,3-dione
CID 115559837
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-(methylamino)propan-1-one
CID 114797505
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-methylbutan-1-one
CID 110867840
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-(methylamino)propan-1-one
CID 82746414
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CID 62973098
1-(3-cyclobutylazetidin-1-yl)-2-hydroxyethanone
CID 131131784
4-(methylamino)-1-(3-methylpiperidin-1-yl)butan-1-one
CID 60841501
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-oxopropanenitrile
CID 115559855
1-[(3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-methoxyethanone
CID 130657748
4-(methylamino)-1-(3,4,5-trimethylpiperazin-1-yl)butan-1-one
CID 114536826
1-(3,5-dimethylpiperidin-1-yl)-4-(methylamino)butan-1-one;hydrochloride
CID 119671954

Frequently Asked Questions

What is the IUPAC name of 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(methylamino)propan-1-one?
The IUPAC name of 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(methylamino)propan-1-one (CID 115559774) is 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(methylamino)propan-1-one.
What is the SMILES notation for 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(methylamino)propan-1-one?
The canonical SMILES for 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(methylamino)propan-1-one is CNCCC(=O)N1CC2CCCC2C1.
What is the InChIKey of 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(methylamino)propan-1-one?
The InChIKey is PTGJBTHTBUEZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-12-6-5-11(14)13-7-9-3-2-4-10(9)8-13/h9-10,12H,2-8H2,1H3.
What are the key properties of 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(methylamino)propan-1-one?
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(methylamino)propan-1-one has a molecular weight of 196.29 g/mol, XLogP of 0.85, 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)-3-(methylamino)propan-1-one is sourced from PubChem (CID 115559774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).