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

C13H21NO3 — CID 104751073

IUPAC2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(oxolan-3-yl)ethanone
SMILESO=C(CN1CC2CCC(O)C2C1)C1CCOC1
InChIInChI=1S/C13H21NO3/c15-12-2-1-9-5-14(6-11(9)12)7-13(16)10-3-4-17-8-10/h9-12,15H,1-8H2
InChIKeyMRUBPJOJRGKZFN-UHFFFAOYSA-N
MW239.31 g/mol
LogP0.29
Rot. Bonds3

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

2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(oxolan-3-yl)ethanone (PubChem CID 104751073) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(oxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(oxolan-3-yl)ethanone
PubChem CID104751073
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(oxolan-3-yl)ethanone
SMILESO=C(CN1CC2CCC(O)C2C1)C1CCOC1
InChIInChI=1S/C13H21NO3/c15-12-2-1-9-5-14(6-11(9)12)7-13(16)10-3-4-17-8-10/h9-12,15H,1-8H2
InChIKeyMRUBPJOJRGKZFN-UHFFFAOYSA-N
XLogP0.29
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethanone
CID 104751072
1-(oxolan-3-yl)-2-piperazin-1-ylethanone
CID 104750458
1-[2-oxo-2-(oxolan-3-yl)ethyl]piperidine-4-carboxamide
CID 104749892
1-(oxolan-3-yl)-2-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103498923
1-(oxolan-3-yl)-2-(4-propylpiperazin-1-yl)ethanone
CID 104749907
1-(oxolan-3-yl)-2-(4-phenylpiperazin-1-yl)ethanone
CID 104749860
2-(azetidin-1-yl)-1-(oxan-3-yl)ethanone
CID 130757980
2-[4-(1-hydroxyethyl)piperidin-1-yl]-1-(oxolan-3-yl)ethanone
CID 106836620
2-(3-azaspiro[5.5]undecan-3-yl)-1-(oxolan-3-yl)ethanone
CID 104750677
2-(4-acetyl-1,4-diazepan-1-yl)-1-(oxolan-3-yl)ethanone
CID 104750236
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(oxolan-3-yl)ethanone
CID 104750092
4-methyl-1-[2-oxo-2-(oxolan-3-yl)ethyl]pyridin-2-one
CID 104751404

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(oxolan-3-yl)ethanone?
The IUPAC name of 2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(oxolan-3-yl)ethanone (CID 104751073) is 2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(oxolan-3-yl)ethanone.
What is the SMILES notation for 2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(oxolan-3-yl)ethanone?
The canonical SMILES for 2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(oxolan-3-yl)ethanone is O=C(CN1CC2CCC(O)C2C1)C1CCOC1.
What is the InChIKey of 2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(oxolan-3-yl)ethanone?
The InChIKey is MRUBPJOJRGKZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c15-12-2-1-9-5-14(6-11(9)12)7-13(16)10-3-4-17-8-10/h9-12,15H,1-8H2.
What are the key properties of 2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(oxolan-3-yl)ethanone?
2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(oxolan-3-yl)ethanone has a molecular weight of 239.31 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(oxolan-3-yl)ethanone is sourced from PubChem (CID 104751073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).