[(6R,6aR)-6-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-cyclopropylmethanone

C24H32N2O — CID 69129295

IUPAC[(6R,6aR)-6-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-cyclopropylmethanone
SMILESCC1CCCN1CCc1ccc([C@@H]2CC=C3CN(C(=O)C4CC4)C[C@@H]32)cc1
InChIInChI=1S/C24H32N2O/c1-17-3-2-13-25(17)14-12-18-4-6-19(7-5-18)22-11-10-21-15-26(16-23(21)22)24(27)20-8-9-20/h4-7,10,17,20,22-23H,2-3,8-9,11-16H2,1H3/t17?,22-,23-/m0/s1
InChIKeyWLNCIDQUHFETMZ-CNZKWUBKSA-N
MW364.53 g/mol
LogP4.00
Rot. Bonds5

About [(6R,6aR)-6-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-cyclopropylmethanone

[(6R,6aR)-6-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-cyclopropylmethanone (PubChem CID 69129295) has the molecular formula C24H32N2O and a molecular weight of 364.53 g/mol. Its IUPAC name is [(6R,6aR)-6-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[(6R,6aR)-6-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-cyclopropylmethanone
PubChem CID69129295
Molecular FormulaC24H32N2O
Molecular Weight364.53 g/mol
Exact Mass364.25
IUPAC Name[(6R,6aR)-6-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-cyclopropylmethanone
SMILESCC1CCCN1CCc1ccc([C@@H]2CC=C3CN(C(=O)C4CC4)C[C@@H]32)cc1
InChIInChI=1S/C24H32N2O/c1-17-3-2-13-25(17)14-12-18-4-6-19(7-5-18)22-11-10-21-15-26(16-23(21)22)24(27)20-8-9-20/h4-7,10,17,20,22-23H,2-3,8-9,11-16H2,1H3/t17?,22-,23-/m0/s1
InChIKeyWLNCIDQUHFETMZ-CNZKWUBKSA-N
XLogP4.00
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(6R,6aR)-6-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-cyclopropylmethanone with MolForge

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Related Compounds

[6-[4-(2-morpholin-4-ylethyl)phenyl]-3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-(oxan-4-yl)methanone
CID 69112949
4-[2-(2-methylpyrrolidin-1-yl)ethyl]benzoic acid
CID 79680062
[4-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-3,3a,4,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-(oxan-4-yl)methanone
CID 24966407
1-[4-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-3,3a,4,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanone
CID 24966051
[4-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-pyrazin-2-ylmethanone
CID 69113796
1-[4-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-(oxan-4-yl)ethanone
CID 71197240
[6-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(oxan-4-yl)methanone;hydrochloride
CID 68785534
1-[4-methyl-6-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 68783100
2-(2-fluoroethyl)-4-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 24966055
2-methyl-3-[4-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]phenyl]propanoic acid
CID 166770247
2-hydroxy-1-[5-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-1,3-dihydroisoindol-2-yl]ethanone
CID 68783904
1-[(5S)-6-chloro-5-methyl-8-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethanone
CID 59635368

Frequently Asked Questions

What is the IUPAC name of [(6R,6aR)-6-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-cyclopropylmethanone?
The IUPAC name of [(6R,6aR)-6-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-cyclopropylmethanone (CID 69129295) is [(6R,6aR)-6-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-cyclopropylmethanone.
What is the SMILES notation for [(6R,6aR)-6-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-cyclopropylmethanone?
The canonical SMILES for [(6R,6aR)-6-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-cyclopropylmethanone is CC1CCCN1CCc1ccc([C@@H]2CC=C3CN(C(=O)C4CC4)C[C@@H]32)cc1.
What is the InChIKey of [(6R,6aR)-6-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-cyclopropylmethanone?
The InChIKey is WLNCIDQUHFETMZ-CNZKWUBKSA-N. The full InChI is InChI=1S/C24H32N2O/c1-17-3-2-13-25(17)14-12-18-4-6-19(7-5-18)22-11-10-21-15-26(16-23(21)22)24(27)20-8-9-20/h4-7,10,17,20,22-23H,2-3,8-9,11-16H2,1H3/t17?,22-,23-/m0/s1.
What are the key properties of [(6R,6aR)-6-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-cyclopropylmethanone?
[(6R,6aR)-6-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-cyclopropylmethanone has a molecular weight of 364.53 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R,6aR)-6-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-cyclopropylmethanone is sourced from PubChem (CID 69129295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).