(3aS,6aR)-2-[[(2S)-pyrrolidin-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

C12H22N2 — CID 142354137

IUPAC(3aS,6aR)-2-[[(2S)-pyrrolidin-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESC1CN[C@H](CN2C[C@H]3CCC[C@H]3C2)C1
InChIInChI=1S/C12H22N2/c1-3-10-7-14(8-11(10)4-1)9-12-5-2-6-13-12/h10-13H,1-9H2/t10-,11+,12-/m0/s1
InChIKeyWFRBYJWQQRDKFW-TUAOUCFPSA-N
MW194.32 g/mol
LogP1.47
Rot. Bonds2

About (3aS,6aR)-2-[[(2S)-pyrrolidin-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

(3aS,6aR)-2-[[(2S)-pyrrolidin-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (PubChem CID 142354137) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is (3aS,6aR)-2-[[(2S)-pyrrolidin-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Name(3aS,6aR)-2-[[(2S)-pyrrolidin-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
PubChem CID142354137
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name(3aS,6aR)-2-[[(2S)-pyrrolidin-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESC1CN[C@H](CN2C[C@H]3CCC[C@H]3C2)C1
InChIInChI=1S/C12H22N2/c1-3-10-7-14(8-11(10)4-1)9-12-5-2-6-13-12/h10-13H,1-9H2/t10-,11+,12-/m0/s1
InChIKeyWFRBYJWQQRDKFW-TUAOUCFPSA-N
XLogP1.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3aS,6aR)-2-[[(2S)-pyrrolidin-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole with MolForge

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Related Compounds

(2R,6S)-2,6-dimethyl-4-(pyrrolidin-2-ylmethyl)morpholine
CID 17389845
(2R,6R)-2,6-dimethyl-4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine
CID 28597159
2,6-dimethyl-4-[[(2R)-pyrrolidin-2-yl]methyl]morpholine
CID 102819326
(2S)-2-[(3,4-dimethylpyrrolidin-1-yl)methyl]piperidine
CID 130522631
3-(azocan-2-ylmethyl)-3-azabicyclo[3.3.1]nonane
CID 114240424
1-(pyrrolidin-2-ylmethyl)piperazine
CID 53406264
ethane;propane;1-(pyrrolidin-2-ylmethyl)pyrrolidine
CID 143192100
1-[[(2S)-pyrrolidin-2-yl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 104870161
2-[1-[[(2S)-pyrrolidin-2-yl]methyl]piperidin-3-yl]ethanol
CID 104870213
8-(pyrrolidin-2-ylmethyl)-8-azabicyclo[3.2.1]octane
CID 130834643
4-(azepan-2-ylmethyl)-2,6-dimethylthiomorpholine
CID 64568587
3-pyrrolidin-1-yl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidine
CID 104870181

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-2-[[(2S)-pyrrolidin-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of (3aS,6aR)-2-[[(2S)-pyrrolidin-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (CID 142354137) is (3aS,6aR)-2-[[(2S)-pyrrolidin-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for (3aS,6aR)-2-[[(2S)-pyrrolidin-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for (3aS,6aR)-2-[[(2S)-pyrrolidin-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is C1CN[C@H](CN2C[C@H]3CCC[C@H]3C2)C1.
What is the InChIKey of (3aS,6aR)-2-[[(2S)-pyrrolidin-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is WFRBYJWQQRDKFW-TUAOUCFPSA-N. The full InChI is InChI=1S/C12H22N2/c1-3-10-7-14(8-11(10)4-1)9-12-5-2-6-13-12/h10-13H,1-9H2/t10-,11+,12-/m0/s1.
What are the key properties of (3aS,6aR)-2-[[(2S)-pyrrolidin-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
(3aS,6aR)-2-[[(2S)-pyrrolidin-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 194.32 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-2-[[(2S)-pyrrolidin-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 142354137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).