2-hydroxy-1-(5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethanone

C10H17NO2 — CID 123899899

IUPAC2-hydroxy-1-(5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethanone
SMILESCC1CC2CN(C(=O)CO)CC2C1
InChIInChI=1S/C10H17NO2/c1-7-2-8-4-11(10(13)6-12)5-9(8)3-7/h7-9,12H,2-6H2,1H3
InChIKeyJXBFJTQECLLANJ-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.48
Rot. Bonds1

About 2-hydroxy-1-(5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethanone

2-hydroxy-1-(5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethanone (PubChem CID 123899899) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-hydroxy-1-(5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethanone.

Molecular Properties

Compound Name2-hydroxy-1-(5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethanone
PubChem CID123899899
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-hydroxy-1-(5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethanone
SMILESCC1CC2CN(C(=O)CO)CC2C1
InChIInChI=1S/C10H17NO2/c1-7-2-8-4-11(10(13)6-12)5-9(8)3-7/h7-9,12H,2-6H2,1H3
InChIKeyJXBFJTQECLLANJ-UHFFFAOYSA-N
XLogP0.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethanone?
The IUPAC name of 2-hydroxy-1-(5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethanone (CID 123899899) is 2-hydroxy-1-(5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethanone.
What is the SMILES notation for 2-hydroxy-1-(5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethanone?
The canonical SMILES for 2-hydroxy-1-(5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethanone is CC1CC2CN(C(=O)CO)CC2C1.
What is the InChIKey of 2-hydroxy-1-(5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethanone?
The InChIKey is JXBFJTQECLLANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-7-2-8-4-11(10(13)6-12)5-9(8)3-7/h7-9,12H,2-6H2,1H3.
What are the key properties of 2-hydroxy-1-(5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethanone?
2-hydroxy-1-(5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethanone has a molecular weight of 183.25 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethanone is sourced from PubChem (CID 123899899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).