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

C8H15N — CID 142336980

IUPAC(3aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCN1CC2CCC[C@@H]2C1
InChIInChI=1S/C8H15N/c1-9-5-7-3-2-4-8(7)6-9/h7-8H,2-6H2,1H3/t7-,8?/m1/s1
InChIKeyHULIQIFSWBOHTE-GVHYBUMESA-N
MW125.22 g/mol
LogP1.35
Rot. Bonds

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

(3aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (PubChem CID 142336980) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is (3aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Name(3aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
PubChem CID142336980
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC Name(3aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCN1CC2CCC[C@@H]2C1
InChIInChI=1S/C8H15N/c1-9-5-7-3-2-4-8(7)6-9/h7-8H,2-6H2,1H3/t7-,8?/m1/s1
InChIKeyHULIQIFSWBOHTE-GVHYBUMESA-N
XLogP1.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.22
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-chloro-3-azabicyclo[3.3.0]octane
CID 15871717
CID 58944866
CID 58944866
5,5-Difluoro-2,4-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole
CID 58944878
(3aR,6aS)-6a-fluoro-3a-iodo-2-methyl-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole
CID 71081824
2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 127448106
4,4-Difluoro-2-methyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrole
CID 130611944
4,4-Difluoro-2-propan-2-yl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrole
CID 130612774
2-Ethyl-4,4-difluoro-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrole
CID 131201154
(3aR,6aS)-4,4-difluoro-2-propan-2-yl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrole
CID 132266648
(3aS,6aR)-5,5-difluoro-2-propan-2-yl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole
CID 132266652
(3aR,6aS)-5-methyl-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 135190990
(3aS,6aR)-2-tert-butyl-5,5-difluoro-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole
CID 140929495

Frequently Asked Questions

What is the IUPAC name of (3aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of (3aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (CID 142336980) is (3aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for (3aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for (3aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is CN1CC2CCC[C@@H]2C1.
What is the InChIKey of (3aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is HULIQIFSWBOHTE-GVHYBUMESA-N. The full InChI is InChI=1S/C8H15N/c1-9-5-7-3-2-4-8(7)6-9/h7-8H,2-6H2,1H3/t7-,8?/m1/s1.
What are the key properties of (3aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
(3aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 125.22 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 142336980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).