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

C13H23NO2 — CID 114875457

IUPAC1-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-methylpentan-1-one
SMILESCCC(C)CC(=O)N1CC2CCC(O)C2C1
InChIInChI=1S/C13H23NO2/c1-3-9(2)6-13(16)14-7-10-4-5-12(15)11(10)8-14/h9-12,15H,3-8H2,1-2H3
InChIKeyNWJCYLLOHWDAGB-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.65
Rot. Bonds3

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

1-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-methylpentan-1-one (PubChem CID 114875457) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-methylpentan-1-one.

Molecular Properties

Compound Name1-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-methylpentan-1-one
PubChem CID114875457
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-methylpentan-1-one
SMILESCCC(C)CC(=O)N1CC2CCC(O)C2C1
InChIInChI=1S/C13H23NO2/c1-3-9(2)6-13(16)14-7-10-4-5-12(15)11(10)8-14/h9-12,15H,3-8H2,1-2H3
InChIKeyNWJCYLLOHWDAGB-UHFFFAOYSA-N
XLogP1.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-methylpentan-1-one?
The IUPAC name of 1-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-methylpentan-1-one (CID 114875457) is 1-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-methylpentan-1-one.
What is the SMILES notation for 1-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-methylpentan-1-one?
The canonical SMILES for 1-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-methylpentan-1-one is CCC(C)CC(=O)N1CC2CCC(O)C2C1.
What is the InChIKey of 1-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-methylpentan-1-one?
The InChIKey is NWJCYLLOHWDAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-3-9(2)6-13(16)14-7-10-4-5-12(15)11(10)8-14/h9-12,15H,3-8H2,1-2H3.
What are the key properties of 1-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-methylpentan-1-one?
1-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-methylpentan-1-one has a molecular weight of 225.33 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-methylpentan-1-one is sourced from PubChem (CID 114875457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).