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

C8H13N — CID 77305376

IUPAC5-methyl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole
SMILESCC1=CC2CNCC2C1
InChIInChI=1S/C8H13N/c1-6-2-7-4-9-5-8(7)3-6/h2,7-9H,3-5H2,1H3
InChIKeyKFEBBSKAEHRWGX-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.17
Rot. Bonds

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

5-methyl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole (PubChem CID 77305376) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 5-methyl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole.

Molecular Properties

Compound Name5-methyl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole
PubChem CID77305376
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name5-methyl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole
SMILESCC1=CC2CNCC2C1
InChIInChI=1S/C8H13N/c1-6-2-7-4-9-5-8(7)3-6/h2,7-9H,3-5H2,1H3
InChIKeyKFEBBSKAEHRWGX-UHFFFAOYSA-N
XLogP1.17
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 ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole?
The IUPAC name of 5-methyl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole (CID 77305376) is 5-methyl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole.
What is the SMILES notation for 5-methyl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole?
The canonical SMILES for 5-methyl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole is CC1=CC2CNCC2C1.
What is the InChIKey of 5-methyl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole?
The InChIKey is KFEBBSKAEHRWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-6-2-7-4-9-5-8(7)3-6/h2,7-9H,3-5H2,1H3.
What are the key properties of 5-methyl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole?
5-methyl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole has a molecular weight of 123.20 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole is sourced from PubChem (CID 77305376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).