3-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole

C20H30N2 — CID 69118514

IUPAC3-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
SMILESCC1CCCN1CCc1ccc(C2NCC3CCCC32)cc1
InChIInChI=1S/C20H30N2/c1-15-4-3-12-22(15)13-11-16-7-9-17(10-8-16)20-19-6-2-5-18(19)14-21-20/h7-10,15,18-21H,2-6,11-14H2,1H3
InChIKeyGXQFFKDCQUPGNZ-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.77
Rot. Bonds4

About 3-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole

3-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole (PubChem CID 69118514) has the molecular formula C20H30N2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 3-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole.

Molecular Properties

Compound Name3-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
PubChem CID69118514
Molecular FormulaC20H30N2
Molecular Weight298.47 g/mol
Exact Mass298.24
IUPAC Name3-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
SMILESCC1CCCN1CCc1ccc(C2NCC3CCCC32)cc1
InChIInChI=1S/C20H30N2/c1-15-4-3-12-22(15)13-11-16-7-9-17(10-8-16)20-19-6-2-5-18(19)14-21-20/h7-10,15,18-21H,2-6,11-14H2,1H3
InChIKeyGXQFFKDCQUPGNZ-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-3,3a,4,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanone
CID 24966051
5-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]-1,3-oxazolidin-2-one
CID 42603156
4-[2-(2-methylpyrrolidin-1-yl)ethyl]benzoic acid
CID 79680062
5-methyl-6-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrole
CID 141178717
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
(3aS,7aR)-4-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-1,2,3,3a,5,6,7,7a-octahydroisoindol-4-ol
CID 69119012
4-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 24965702
(2R)-1-[2-[4-[4-(aziridin-1-ylsulfonyl)phenyl]phenyl]ethyl]-2-methylpyrrolidine
CID 24886607
4-[3-(2-methylpyrrolidin-1-yl)propyl]aniline
CID 115341800
4-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]sulfonylpiperidine
CID 24897480
4-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]-1,3-dioxol-2-one
CID 141238596
[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

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
The IUPAC name of 3-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole (CID 69118514) is 3-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole.
What is the SMILES notation for 3-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
The canonical SMILES for 3-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole is CC1CCCN1CCc1ccc(C2NCC3CCCC32)cc1.
What is the InChIKey of 3-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
The InChIKey is GXQFFKDCQUPGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2/c1-15-4-3-12-22(15)13-11-16-7-9-17(10-8-16)20-19-6-2-5-18(19)14-21-20/h7-10,15,18-21H,2-6,11-14H2,1H3.
What are the key properties of 3-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
3-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole has a molecular weight of 298.47 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole is sourced from PubChem (CID 69118514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).