1-[4-[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-methylpropan-1-one

C25H36N2O — CID 69155502

IUPAC1-[4-[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CC2CC=C(c3ccc(CCN4C(C)CCC4C)cc3)C2C1
InChIInChI=1S/C25H36N2O/c1-17(2)25(28)26-15-22-11-12-23(24(22)16-26)21-9-7-20(8-10-21)13-14-27-18(3)5-6-19(27)4/h7-10,12,17-19,22,24H,5-6,11,13-16H2,1-4H3
InChIKeyBSSDLRWZLWLLAL-UHFFFAOYSA-N
MW380.58 g/mol
LogP4.62
Rot. Bonds5

About 1-[4-[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-methylpropan-1-one

1-[4-[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-methylpropan-1-one (PubChem CID 69155502) has the molecular formula C25H36N2O and a molecular weight of 380.58 g/mol. Its IUPAC name is 1-[4-[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-methylpropan-1-one
PubChem CID69155502
Molecular FormulaC25H36N2O
Molecular Weight380.58 g/mol
Exact Mass380.28
IUPAC Name1-[4-[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CC2CC=C(c3ccc(CCN4C(C)CCC4C)cc3)C2C1
InChIInChI=1S/C25H36N2O/c1-17(2)25(28)26-15-22-11-12-23(24(22)16-26)21-9-7-20(8-10-21)13-14-27-18(3)5-6-19(27)4/h7-10,12,17-19,22,24H,5-6,11,13-16H2,1-4H3
InChIKeyBSSDLRWZLWLLAL-UHFFFAOYSA-N
XLogP4.62
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.58
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-methylpropan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-methylpropan-1-one (CID 69155502) is 1-[4-[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CC2CC=C(c3ccc(CCN4C(C)CCC4C)cc3)C2C1.
What is the InChIKey of 1-[4-[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-methylpropan-1-one?
The InChIKey is BSSDLRWZLWLLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O/c1-17(2)25(28)26-15-22-11-12-23(24(22)16-26)21-9-7-20(8-10-21)13-14-27-18(3)5-6-19(27)4/h7-10,12,17-19,22,24H,5-6,11,13-16H2,1-4H3.
What are the key properties of 1-[4-[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-methylpropan-1-one?
1-[4-[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-methylpropan-1-one has a molecular weight of 380.58 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-methylpropan-1-one is sourced from PubChem (CID 69155502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).