(3aS,6aR)-2-(1H-indol-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol

C16H20N2O — CID 110126404

IUPAC(3aS,6aR)-2-(1H-indol-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
SMILESOC1C[C@@H]2CN(Cc3c[nH]c4ccccc34)C[C@@H]2C1
InChIInChI=1S/C16H20N2O/c19-14-5-11-8-18(9-12(11)6-14)10-13-7-17-16-4-2-1-3-15(13)16/h1-4,7,11-12,14,17,19H,5-6,8-10H2/t11-,12+,14?
InChIKeyMAKDVKOGDOCXDY-ONXXMXGDSA-N
MW256.35 g/mol
LogP2.37
Rot. Bonds2

About (3aS,6aR)-2-(1H-indol-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol

(3aS,6aR)-2-(1H-indol-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol (PubChem CID 110126404) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is (3aS,6aR)-2-(1H-indol-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol.

Molecular Properties

Compound Name(3aS,6aR)-2-(1H-indol-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
PubChem CID110126404
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name(3aS,6aR)-2-(1H-indol-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
SMILESOC1C[C@@H]2CN(Cc3c[nH]c4ccccc34)C[C@@H]2C1
InChIInChI=1S/C16H20N2O/c19-14-5-11-8-18(9-12(11)6-14)10-13-7-17-16-4-2-1-3-15(13)16/h1-4,7,11-12,14,17,19H,5-6,8-10H2/t11-,12+,14?
InChIKeyMAKDVKOGDOCXDY-ONXXMXGDSA-N
XLogP2.37
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3aS,6aR)-2-(1H-indol-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol with MolForge

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Related Compounds

3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1H-indole
CID 878346
[1-(1H-indol-3-ylmethyl)piperidin-3-yl]methanol
CID 43817859
oxalic acid;3-[(4-propylsulfonylpiperazin-1-yl)methyl]-1H-indole
CID 2900301
3-(1H-indol-3-yl)propane-1,1-diol
CID 22219738
1-(3,4-dihydroxypyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 106671580
3-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-1H-indole
CID 674171
1-[2-(1H-indol-3-yl)ethyl]piperidin-3-ol
CID 3054781
(3aS,6aR)-2-(1H-indol-3-ylmethyl)-5-(2-phenylethyl)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
CID 91916068
azepan-1-yl-[(3R)-1-(1H-indol-3-ylmethyl)piperidin-3-yl]methanone
CID 898620
2-[(2R)-4-(1H-indol-3-ylmethyl)-1-propan-2-ylpiperazin-2-yl]ethanol
CID 98579746
3-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1H-indole
CID 127247080
1-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]pentan-1-one
CID 110397461

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-2-(1H-indol-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol?
The IUPAC name of (3aS,6aR)-2-(1H-indol-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol (CID 110126404) is (3aS,6aR)-2-(1H-indol-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol.
What is the SMILES notation for (3aS,6aR)-2-(1H-indol-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol?
The canonical SMILES for (3aS,6aR)-2-(1H-indol-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol is OC1C[C@@H]2CN(Cc3c[nH]c4ccccc34)C[C@@H]2C1.
What is the InChIKey of (3aS,6aR)-2-(1H-indol-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol?
The InChIKey is MAKDVKOGDOCXDY-ONXXMXGDSA-N. The full InChI is InChI=1S/C16H20N2O/c19-14-5-11-8-18(9-12(11)6-14)10-13-7-17-16-4-2-1-3-15(13)16/h1-4,7,11-12,14,17,19H,5-6,8-10H2/t11-,12+,14?.
What are the key properties of (3aS,6aR)-2-(1H-indol-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol?
(3aS,6aR)-2-(1H-indol-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol has a molecular weight of 256.35 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-2-(1H-indol-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol is sourced from PubChem (CID 110126404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).