1,2-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole

C9H17N — CID 3057780

IUPAC1,2-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole
SMILESCC1CC2CCCC2N1C
InChIInChI=1S/C9H17N/c1-7-6-8-4-3-5-9(8)10(7)2/h7-9H,3-6H2,1-2H3
InChIKeyRDFOURSPNBBXIY-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.88
Rot. Bonds

About 1,2-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole

1,2-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole (PubChem CID 3057780) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 1,2-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole.

Molecular Properties

Compound Name1,2-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole
PubChem CID3057780
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name1,2-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole
SMILESCC1CC2CCCC2N1C
InChIInChI=1S/C9H17N/c1-7-6-8-4-3-5-9(8)10(7)2/h7-9H,3-6H2,1-2H3
InChIKeyRDFOURSPNBBXIY-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole?
The IUPAC name of 1,2-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole (CID 3057780) is 1,2-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole.
What is the SMILES notation for 1,2-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole?
The canonical SMILES for 1,2-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole is CC1CC2CCCC2N1C.
What is the InChIKey of 1,2-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole?
The InChIKey is RDFOURSPNBBXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-7-6-8-4-3-5-9(8)10(7)2/h7-9H,3-6H2,1-2H3.
What are the key properties of 1,2-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole?
1,2-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole has a molecular weight of 139.24 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole is sourced from PubChem (CID 3057780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).