2-(4-propan-2-ylphenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

C16H23N — CID 121262109

IUPAC2-(4-propan-2-ylphenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCC(C)c1ccc(N2CC3CCCC3C2)cc1
InChIInChI=1S/C16H23N/c1-12(2)13-6-8-16(9-7-13)17-10-14-4-3-5-15(14)11-17/h6-9,12,14-15H,3-5,10-11H2,1-2H3
InChIKeyKAIQNNVBFXYJCH-UHFFFAOYSA-N
MW229.37 g/mol
LogP4.05
Rot. Bonds2

About 2-(4-propan-2-ylphenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

2-(4-propan-2-ylphenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (PubChem CID 121262109) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Name2-(4-propan-2-ylphenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
PubChem CID121262109
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name2-(4-propan-2-ylphenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCC(C)c1ccc(N2CC3CCCC3C2)cc1
InChIInChI=1S/C16H23N/c1-12(2)13-6-8-16(9-7-13)17-10-14-4-3-5-15(14)11-17/h6-9,12,14-15H,3-5,10-11H2,1-2H3
InChIKeyKAIQNNVBFXYJCH-UHFFFAOYSA-N
XLogP4.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of 2-(4-propan-2-ylphenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (CID 121262109) is 2-(4-propan-2-ylphenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for 2-(4-propan-2-ylphenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for 2-(4-propan-2-ylphenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is CC(C)c1ccc(N2CC3CCCC3C2)cc1.
What is the InChIKey of 2-(4-propan-2-ylphenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is KAIQNNVBFXYJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-12(2)13-6-8-16(9-7-13)17-10-14-4-3-5-15(14)11-17/h6-9,12,14-15H,3-5,10-11H2,1-2H3.
What are the key properties of 2-(4-propan-2-ylphenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
2-(4-propan-2-ylphenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 229.37 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylphenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 121262109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).