2-phenyl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole

C25H30N2 — CID 24964278

IUPAC2-phenyl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole
SMILESC1=C(c2ccc(CCN3CCCC3)cc2)C2CN(c3ccccc3)CC2C1
InChIInChI=1S/C25H30N2/c1-2-6-23(7-3-1)27-18-22-12-13-24(25(22)19-27)21-10-8-20(9-11-21)14-17-26-15-4-5-16-26/h1-3,6-11,13,22,25H,4-5,12,14-19H2
InChIKeyNIKYPYAIHGCRMC-UHFFFAOYSA-N
MW358.53 g/mol
LogP4.86
Rot. Bonds5

About 2-phenyl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole

2-phenyl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole (PubChem CID 24964278) has the molecular formula C25H30N2 and a molecular weight of 358.53 g/mol. Its IUPAC name is 2-phenyl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Name2-phenyl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole
PubChem CID24964278
Molecular FormulaC25H30N2
Molecular Weight358.53 g/mol
Exact Mass358.24
IUPAC Name2-phenyl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole
SMILESC1=C(c2ccc(CCN3CCCC3)cc2)C2CN(c3ccccc3)CC2C1
InChIInChI=1S/C25H30N2/c1-2-6-23(7-3-1)27-18-22-12-13-24(25(22)19-27)21-10-8-20(9-11-21)14-17-26-15-4-5-16-26/h1-3,6-11,13,22,25H,4-5,12,14-19H2
InChIKeyNIKYPYAIHGCRMC-UHFFFAOYSA-N
XLogP4.86
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of 2-phenyl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole (CID 24964278) is 2-phenyl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for 2-phenyl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for 2-phenyl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole is C1=C(c2ccc(CCN3CCCC3)cc2)C2CN(c3ccccc3)CC2C1.
What is the InChIKey of 2-phenyl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is NIKYPYAIHGCRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2/c1-2-6-23(7-3-1)27-18-22-12-13-24(25(22)19-27)21-10-8-20(9-11-21)14-17-26-15-4-5-16-26/h1-3,6-11,13,22,25H,4-5,12,14-19H2.
What are the key properties of 2-phenyl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole?
2-phenyl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 358.53 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 24964278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).