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

C13H22N2O3 — CID 113399198

IUPAC1-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-morpholin-2-ylethanone
SMILESO=C(CC1CNCCO1)N1CC2CCC(O)C2C1
InChIInChI=1S/C13H22N2O3/c16-12-2-1-9-7-15(8-11(9)12)13(17)5-10-6-14-3-4-18-10/h9-12,14,16H,1-8H2
InChIKeyCEIYFTTXUPKPCA-UHFFFAOYSA-N
MW254.33 g/mol
LogP-0.41
Rot. Bonds2

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

1-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-morpholin-2-ylethanone (PubChem CID 113399198) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-morpholin-2-ylethanone.

Molecular Properties

Compound Name1-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-morpholin-2-ylethanone
PubChem CID113399198
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-morpholin-2-ylethanone
SMILESO=C(CC1CNCCO1)N1CC2CCC(O)C2C1
InChIInChI=1S/C13H22N2O3/c16-12-2-1-9-7-15(8-11(9)12)13(17)5-10-6-14-3-4-18-10/h9-12,14,16H,1-8H2
InChIKeyCEIYFTTXUPKPCA-UHFFFAOYSA-N
XLogP-0.41
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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)-2-morpholin-2-ylethanone?
The IUPAC name of 1-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-morpholin-2-ylethanone (CID 113399198) is 1-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-morpholin-2-ylethanone.
What is the SMILES notation for 1-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-morpholin-2-ylethanone?
The canonical SMILES for 1-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-morpholin-2-ylethanone is O=C(CC1CNCCO1)N1CC2CCC(O)C2C1.
What is the InChIKey of 1-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-morpholin-2-ylethanone?
The InChIKey is CEIYFTTXUPKPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c16-12-2-1-9-7-15(8-11(9)12)13(17)5-10-6-14-3-4-18-10/h9-12,14,16H,1-8H2.
What are the key properties of 1-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-morpholin-2-ylethanone?
1-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-morpholin-2-ylethanone has a molecular weight of 254.33 g/mol, XLogP of -0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 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)-2-morpholin-2-ylethanone is sourced from PubChem (CID 113399198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).