3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide

C8H12N2O — CID 69304823

IUPAC3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
SMILESNC(=O)N1CC2C=CCC2C1
InChIInChI=1S/C8H12N2O/c9-8(11)10-4-6-2-1-3-7(6)5-10/h1-2,6-7H,3-5H2,(H2,9,11)
InChIKeyIHPVFLOPUCNCTR-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.57
Rot. Bonds

About 3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide

3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide (PubChem CID 69304823) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide.

Molecular Properties

Compound Name3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
PubChem CID69304823
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
SMILESNC(=O)N1CC2C=CCC2C1
InChIInChI=1S/C8H12N2O/c9-8(11)10-4-6-2-1-3-7(6)5-10/h1-2,6-7H,3-5H2,(H2,9,11)
InChIKeyIHPVFLOPUCNCTR-UHFFFAOYSA-N
XLogP0.57
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.57
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 3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The IUPAC name of 3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide (CID 69304823) is 3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide.
What is the SMILES notation for 3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The canonical SMILES for 3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide is NC(=O)N1CC2C=CCC2C1.
What is the InChIKey of 3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The InChIKey is IHPVFLOPUCNCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c9-8(11)10-4-6-2-1-3-7(6)5-10/h1-2,6-7H,3-5H2,(H2,9,11).
What are the key properties of 3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide has a molecular weight of 152.20 g/mol, XLogP of 0.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide is sourced from PubChem (CID 69304823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).