[(3aR,6aR)-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-cyclopentylmethanone

C25H34N2O — CID 44560583

IUPAC[(3aR,6aR)-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-cyclopentylmethanone
SMILESO=C(C1CCCC1)N1C[C@@H]2CC=C(c3ccc(CCN4CCCC4)cc3)[C@@H]2C1
InChIInChI=1S/C25H34N2O/c28-25(21-5-1-2-6-21)27-17-22-11-12-23(24(22)18-27)20-9-7-19(8-10-20)13-16-26-14-3-4-15-26/h7-10,12,21-22,24H,1-6,11,13-18H2/t22-,24+/m0/s1
InChIKeyUQBZBQNSUZGXQM-LADGPHEKSA-N
MW378.56 g/mol
LogP4.38
Rot. Bonds5

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

[(3aR,6aR)-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-cyclopentylmethanone (PubChem CID 44560583) has the molecular formula C25H34N2O and a molecular weight of 378.56 g/mol. Its IUPAC name is [(3aR,6aR)-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[(3aR,6aR)-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-cyclopentylmethanone
PubChem CID44560583
Molecular FormulaC25H34N2O
Molecular Weight378.56 g/mol
Exact Mass378.27
IUPAC Name[(3aR,6aR)-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-cyclopentylmethanone
SMILESO=C(C1CCCC1)N1C[C@@H]2CC=C(c3ccc(CCN4CCCC4)cc3)[C@@H]2C1
InChIInChI=1S/C25H34N2O/c28-25(21-5-1-2-6-21)27-17-22-11-12-23(24(22)18-27)20-9-7-19(8-10-20)13-16-26-14-3-4-15-26/h7-10,12,21-22,24H,1-6,11,13-18H2/t22-,24+/m0/s1
InChIKeyUQBZBQNSUZGXQM-LADGPHEKSA-N
XLogP4.38
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.56
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [(3aR,6aR)-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-cyclopentylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3aR,6aR)-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-cyclopentylmethanone?
The IUPAC name of [(3aR,6aR)-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-cyclopentylmethanone (CID 44560583) is [(3aR,6aR)-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-cyclopentylmethanone.
What is the SMILES notation for [(3aR,6aR)-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-cyclopentylmethanone?
The canonical SMILES for [(3aR,6aR)-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-cyclopentylmethanone is O=C(C1CCCC1)N1C[C@@H]2CC=C(c3ccc(CCN4CCCC4)cc3)[C@@H]2C1.
What is the InChIKey of [(3aR,6aR)-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-cyclopentylmethanone?
The InChIKey is UQBZBQNSUZGXQM-LADGPHEKSA-N. The full InChI is InChI=1S/C25H34N2O/c28-25(21-5-1-2-6-21)27-17-22-11-12-23(24(22)18-27)20-9-7-19(8-10-20)13-16-26-14-3-4-15-26/h7-10,12,21-22,24H,1-6,11,13-18H2/t22-,24+/m0/s1.
What are the key properties of [(3aR,6aR)-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-cyclopentylmethanone?
[(3aR,6aR)-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-cyclopentylmethanone has a molecular weight of 378.56 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6aR)-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-cyclopentylmethanone is sourced from PubChem (CID 44560583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).