2-phenyl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

C25H32N2 — CID 69112971

IUPAC2-phenyl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESc1ccc(N2CC3CCC(c4ccc(CCN5CCCC5)cc4)C3C2)cc1
InChIInChI=1S/C25H32N2/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/h1-3,6-11,22,24-25H,4-5,12-19H2
InChIKeyMWZBNBNZJVZYJR-UHFFFAOYSA-N
MW360.55 g/mol
LogP4.95
Rot. Bonds5

About 2-phenyl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

2-phenyl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (PubChem CID 69112971) has the molecular formula C25H32N2 and a molecular weight of 360.55 g/mol. Its IUPAC name is 2-phenyl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Name2-phenyl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
PubChem CID69112971
Molecular FormulaC25H32N2
Molecular Weight360.55 g/mol
Exact Mass360.26
IUPAC Name2-phenyl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESc1ccc(N2CC3CCC(c4ccc(CCN5CCCC5)cc4)C3C2)cc1
InChIInChI=1S/C25H32N2/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/h1-3,6-11,22,24-25H,4-5,12-19H2
InChIKeyMWZBNBNZJVZYJR-UHFFFAOYSA-N
XLogP4.95
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.55
LogP ≤ 54.95
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,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of 2-phenyl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (CID 69112971) is 2-phenyl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for 2-phenyl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for 2-phenyl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is c1ccc(N2CC3CCC(c4ccc(CCN5CCCC5)cc4)C3C2)cc1.
What is the InChIKey of 2-phenyl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is MWZBNBNZJVZYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2/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/h1-3,6-11,22,24-25H,4-5,12-19H2.
What are the key properties of 2-phenyl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
2-phenyl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 360.55 g/mol, XLogP of 4.95, 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,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 69112971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).