2-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole

C8H13N — CID 54032445

IUPAC2-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole
SMILESCC1=CC2CCCC2N1
InChIInChI=1S/C8H13N/c1-6-5-7-3-2-4-8(7)9-6/h5,7-9H,2-4H2,1H3
InChIKeyLGNYIHXMQAPCFD-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.66
Rot. Bonds

About 2-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole

2-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole (PubChem CID 54032445) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 2-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole.

Molecular Properties

Compound Name2-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole
PubChem CID54032445
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name2-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole
SMILESCC1=CC2CCCC2N1
InChIInChI=1S/C8H13N/c1-6-5-7-3-2-4-8(7)9-6/h5,7-9H,2-4H2,1H3
InChIKeyLGNYIHXMQAPCFD-UHFFFAOYSA-N
XLogP1.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole?
The IUPAC name of 2-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole (CID 54032445) is 2-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole.
What is the SMILES notation for 2-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole?
The canonical SMILES for 2-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole is CC1=CC2CCCC2N1.
What is the InChIKey of 2-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole?
The InChIKey is LGNYIHXMQAPCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-6-5-7-3-2-4-8(7)9-6/h5,7-9H,2-4H2,1H3.
What are the key properties of 2-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole?
2-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole has a molecular weight of 123.20 g/mol, XLogP of 1.66, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole is sourced from PubChem (CID 54032445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).