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

C12H21ClN2O — CID 119326390

IUPAC3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
SMILESCl.O=C([C@@H]1CCCN1)N1CC2CCCC2C1
InChIInChI=1S/C12H20N2O.ClH/c15-12(11-5-2-6-13-11)14-7-9-3-1-4-10(9)8-14;/h9-11,13H,1-8H2;1H/t9?,10?,11-;/m0./s1
InChIKeyKBQCMICBCDJYGN-ODAKKJAFSA-N
MW244.77 g/mol
LogP1.42
Rot. Bonds1

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

3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride (PubChem CID 119326390) has the molecular formula C12H21ClN2O and a molecular weight of 244.77 g/mol. Its IUPAC name is 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride.

Molecular Properties

Compound Name3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
PubChem CID119326390
Molecular FormulaC12H21ClN2O
Molecular Weight244.77 g/mol
Exact Mass244.13
IUPAC Name3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
SMILESCl.O=C([C@@H]1CCCN1)N1CC2CCCC2C1
InChIInChI=1S/C12H20N2O.ClH/c15-12(11-5-2-6-13-11)14-7-9-3-1-4-10(9)8-14;/h9-11,13H,1-8H2;1H/t9?,10?,11-;/m0./s1
InChIKeyKBQCMICBCDJYGN-ODAKKJAFSA-N
XLogP1.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.77
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 130677988
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904
(3-hydroxyazetidin-1-yl)-[(2R)-piperidin-2-yl]methanone
CID 107217589
(3-hydroxyazetidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 107217621
[(3R,4R)-3,4-dimethoxypyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 129414461
(3-methoxyazetidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 129362673
1-[4-(pyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]ethanone;hydrochloride
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(4-methylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 165429624
cyclopropyl-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]methanone;hydrochloride
CID 71888790
[(2S)-pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;hydrochloride
CID 70088371

Frequently Asked Questions

What is the IUPAC name of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride?
The IUPAC name of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride (CID 119326390) is 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride.
What is the SMILES notation for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride?
The canonical SMILES for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride is Cl.O=C([C@@H]1CCCN1)N1CC2CCCC2C1.
What is the InChIKey of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride?
The InChIKey is KBQCMICBCDJYGN-ODAKKJAFSA-N. The full InChI is InChI=1S/C12H20N2O.ClH/c15-12(11-5-2-6-13-11)14-7-9-3-1-4-10(9)8-14;/h9-11,13H,1-8H2;1H/t9?,10?,11-;/m0./s1.
What are the key properties of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride?
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride has a molecular weight of 244.77 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride is sourced from PubChem (CID 119326390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).