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

C13H23ClN2O2 — CID 119788325

IUPAC1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-morpholin-2-ylethanone;hydrochloride
SMILESCl.O=C(CC1CNCCO1)N1CC2CCCC2C1
InChIInChI=1S/C13H22N2O2.ClH/c16-13(6-12-7-14-4-5-17-12)15-8-10-2-1-3-11(10)9-15;/h10-12,14H,1-9H2;1H
InChIKeyIIGXCRSWTIRTFL-UHFFFAOYSA-N
MW274.79 g/mol
LogP1.05
Rot. Bonds2

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

1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-morpholin-2-ylethanone;hydrochloride (PubChem CID 119788325) has the molecular formula C13H23ClN2O2 and a molecular weight of 274.79 g/mol. Its IUPAC name is 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-morpholin-2-ylethanone;hydrochloride.

Molecular Properties

Compound Name1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-morpholin-2-ylethanone;hydrochloride
PubChem CID119788325
Molecular FormulaC13H23ClN2O2
Molecular Weight274.79 g/mol
Exact Mass274.14
IUPAC Name1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-morpholin-2-ylethanone;hydrochloride
SMILESCl.O=C(CC1CNCCO1)N1CC2CCCC2C1
InChIInChI=1S/C13H22N2O2.ClH/c16-13(6-12-7-14-4-5-17-12)15-8-10-2-1-3-11(10)9-15;/h10-12,14H,1-9H2;1H
InChIKeyIIGXCRSWTIRTFL-UHFFFAOYSA-N
XLogP1.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.79
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-morpholin-2-ylethanone;hydrochloride with MolForge

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Related Compounds

1-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-morpholin-2-ylethanone
CID 113399198
1-(azepan-1-yl)-2-morpholin-2-ylethanone
CID 66433560
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-morpholin-2-ylethanone
CID 107217362
1-(2-methyl-1,4-oxazepan-4-yl)-2-morpholin-2-ylethanone;hydrochloride
CID 119771962
1-(4-methylsulfonylpiperazin-1-yl)-2-morpholin-2-ylethanone;hydrochloride
CID 119696186
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-morpholin-2-ylethanone
CID 102726183
2-morpholin-2-yl-1-thiomorpholin-4-ylethanone
CID 66434733
1-(2-ethylmorpholin-4-yl)-2-morpholin-2-ylethanone
CID 66432993
1-(3,3-dimethylpyrrolidin-1-yl)-2-morpholin-2-ylethanone;hydrochloride
CID 119781999
1-[3-(diethylamino)pyrrolidin-1-yl]-2-morpholin-2-ylethanone
CID 66428750
1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-morpholin-2-ylethanone
CID 66428289
2-morpholin-2-yl-1-(3-propoxypiperidin-1-yl)ethanone
CID 66427238

Frequently Asked Questions

What is the IUPAC name of 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-morpholin-2-ylethanone;hydrochloride?
The IUPAC name of 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-morpholin-2-ylethanone;hydrochloride (CID 119788325) is 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-morpholin-2-ylethanone;hydrochloride.
What is the SMILES notation for 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-morpholin-2-ylethanone;hydrochloride?
The canonical SMILES for 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-morpholin-2-ylethanone;hydrochloride is Cl.O=C(CC1CNCCO1)N1CC2CCCC2C1.
What is the InChIKey of 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-morpholin-2-ylethanone;hydrochloride?
The InChIKey is IIGXCRSWTIRTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2.ClH/c16-13(6-12-7-14-4-5-17-12)15-8-10-2-1-3-11(10)9-15;/h10-12,14H,1-9H2;1H.
What are the key properties of 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-morpholin-2-ylethanone;hydrochloride?
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-morpholin-2-ylethanone;hydrochloride has a molecular weight of 274.79 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 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)-2-morpholin-2-ylethanone;hydrochloride is sourced from PubChem (CID 119788325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).