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

C9H17N — CID 126704123

IUPAC(3R)-2,3-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESC[C@@H]1C2CCCC2CN1C
InChIInChI=1S/C9H17N/c1-7-9-5-3-4-8(9)6-10(7)2/h7-9H,3-6H2,1-2H3/t7-,8?,9?/m1/s1
InChIKeyXQSHGZLNOUECCL-AFPNSQJFSA-N
MW139.24 g/mol
LogP1.74
Rot. Bonds

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

(3R)-2,3-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (PubChem CID 126704123) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (3R)-2,3-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Name(3R)-2,3-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
PubChem CID126704123
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(3R)-2,3-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESC[C@@H]1C2CCCC2CN1C
InChIInChI=1S/C9H17N/c1-7-9-5-3-4-8(9)6-10(7)2/h7-9H,3-6H2,1-2H3/t7-,8?,9?/m1/s1
InChIKeyXQSHGZLNOUECCL-AFPNSQJFSA-N
XLogP1.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3R)-2,3-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole with MolForge

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Related Compounds

(3aR,7aS)-1,2-dimethyl-1,3,3a,3b,4,5,6,6a,7,7a-decahydropentaleno[1,2-c]pyrrole
CID 170009197
(1S,2R,5R)-2,3-dimethyl-3-azabicyclo[3.1.0]hexane
CID 59917347
18-ethyl-19-methyl-19-azabicyclo[15.3.0]icosane
CID 174195083
3-cyclopropyl-1,2-dimethylpyrrolidine
CID 178104321
2-[(1R,3aR,7aR)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl]propan-2-ol
CID 11991877
10-methyl-8-azatricyclo[6.2.1.02,6]undecane
CID 54154861
ethane;tricyclo[5.3.0.02,6]decane
CID 158606562
2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 12847769
(3aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 142336980
pentacyclo[10.8.0.02,11.06,17.07,16]icosane
CID 101138772
tert-butyl (3aS,6aR)-3-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 147356037
ethane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 91339086

Frequently Asked Questions

What is the IUPAC name of (3R)-2,3-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of (3R)-2,3-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (CID 126704123) is (3R)-2,3-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for (3R)-2,3-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for (3R)-2,3-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is C[C@@H]1C2CCCC2CN1C.
What is the InChIKey of (3R)-2,3-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is XQSHGZLNOUECCL-AFPNSQJFSA-N. The full InChI is InChI=1S/C9H17N/c1-7-9-5-3-4-8(9)6-10(7)2/h7-9H,3-6H2,1-2H3/t7-,8?,9?/m1/s1.
What are the key properties of (3R)-2,3-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
(3R)-2,3-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 139.24 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,3-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 126704123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).