[5-hydroxy-1-[[(2R)-oxolan-2-yl]methyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

C21H27NO3 — CID 67269806

IUPAC[5-hydroxy-1-[[(2R)-oxolan-2-yl]methyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)c2cn(C[C@H]3CCCO3)c3ccc(O)cc23)C1(C)C
InChIInChI=1S/C21H27NO3/c1-20(2)19(21(20,3)4)18(24)16-12-22(11-14-6-5-9-25-14)17-8-7-13(23)10-15(16)17/h7-8,10,12,14,19,23H,5-6,9,11H2,1-4H3/t14-/m1/s1
InChIKeyBIHHDCXVWZHKQM-CQSZACIVSA-N
MW341.45 g/mol
LogP4.39
Rot. Bonds4

About [5-hydroxy-1-[[(2R)-oxolan-2-yl]methyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

[5-hydroxy-1-[[(2R)-oxolan-2-yl]methyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (PubChem CID 67269806) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is [5-hydroxy-1-[[(2R)-oxolan-2-yl]methyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.

Molecular Properties

Compound Name[5-hydroxy-1-[[(2R)-oxolan-2-yl]methyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
PubChem CID67269806
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name[5-hydroxy-1-[[(2R)-oxolan-2-yl]methyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)c2cn(C[C@H]3CCCO3)c3ccc(O)cc23)C1(C)C
InChIInChI=1S/C21H27NO3/c1-20(2)19(21(20,3)4)18(24)16-12-22(11-14-6-5-9-25-14)17-8-7-13(23)10-15(16)17/h7-8,10,12,14,19,23H,5-6,9,11H2,1-4H3/t14-/m1/s1
InChIKeyBIHHDCXVWZHKQM-CQSZACIVSA-N
XLogP4.39
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-hydroxy-1-[[(2R)-oxolan-2-yl]methyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone with MolForge

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Related Compounds

[6-methyl-1-(oxan-4-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 11559434
[1-(oxolan-3-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 11529923
[1-(oxan-4-ylmethyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indol-6-yl] hydrogen carbonate
CID 122436807
4-chloro-1-(oxolan-2-ylmethyl)indole-3-carboxylic acid
CID 121393283
1-(oxolan-2-ylmethyl)indole-5-carboxylic acid
CID 63749653
methyl 1-oxo-2-(oxolan-2-ylmethyl)isoquinoline-4-carboxylate
CID 177224111
1-[4-chloro-1-(oxolan-2-ylmethyl)indol-3-yl]-2,2,2-trifluoroethanone;ethane
CID 145106764
1-(1-ethyl-5-hydroxyindol-3-yl)ethanone
CID 117121155
[1-[2-(azepan-1-yl)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 11537904
1-(oxan-2-ylmethyl)indole-5-carboxylic acid
CID 63935795
[2-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 2,4-dihydroxybenzoate
CID 2647205
2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 963184

Frequently Asked Questions

What is the IUPAC name of [5-hydroxy-1-[[(2R)-oxolan-2-yl]methyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The IUPAC name of [5-hydroxy-1-[[(2R)-oxolan-2-yl]methyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (CID 67269806) is [5-hydroxy-1-[[(2R)-oxolan-2-yl]methyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.
What is the SMILES notation for [5-hydroxy-1-[[(2R)-oxolan-2-yl]methyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The canonical SMILES for [5-hydroxy-1-[[(2R)-oxolan-2-yl]methyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is CC1(C)C(C(=O)c2cn(C[C@H]3CCCO3)c3ccc(O)cc23)C1(C)C.
What is the InChIKey of [5-hydroxy-1-[[(2R)-oxolan-2-yl]methyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The InChIKey is BIHHDCXVWZHKQM-CQSZACIVSA-N. The full InChI is InChI=1S/C21H27NO3/c1-20(2)19(21(20,3)4)18(24)16-12-22(11-14-6-5-9-25-14)17-8-7-13(23)10-15(16)17/h7-8,10,12,14,19,23H,5-6,9,11H2,1-4H3/t14-/m1/s1.
What are the key properties of [5-hydroxy-1-[[(2R)-oxolan-2-yl]methyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
[5-hydroxy-1-[[(2R)-oxolan-2-yl]methyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone has a molecular weight of 341.45 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-hydroxy-1-[[(2R)-oxolan-2-yl]methyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is sourced from PubChem (CID 67269806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).