1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine

C7H12N2 — CID 160834606

IUPAC1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine
SMILESNC1C=C2CNCC2C1
InChIInChI=1S/C7H12N2/c8-7-1-5-3-9-4-6(5)2-7/h1,6-7,9H,2-4,8H2
InChIKeySHGDMLVQOSMUIM-UHFFFAOYSA-N
MW124.19 g/mol
LogP-0.14
Rot. Bonds

About 1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine

1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine (PubChem CID 160834606) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine.

Molecular Properties

Compound Name1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine
PubChem CID160834606
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine
SMILESNC1C=C2CNCC2C1
InChIInChI=1S/C7H12N2/c8-7-1-5-3-9-4-6(5)2-7/h1,6-7,9H,2-4,8H2
InChIKeySHGDMLVQOSMUIM-UHFFFAOYSA-N
XLogP-0.14
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine?
The IUPAC name of 1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine (CID 160834606) is 1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine.
What is the SMILES notation for 1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine?
The canonical SMILES for 1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine is NC1C=C2CNCC2C1.
What is the InChIKey of 1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine?
The InChIKey is SHGDMLVQOSMUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c8-7-1-5-3-9-4-6(5)2-7/h1,6-7,9H,2-4,8H2.
What are the key properties of 1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine?
1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine has a molecular weight of 124.19 g/mol, XLogP of -0.14, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine is sourced from PubChem (CID 160834606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).