3,5-bis[[(2R)-3,3-dimethyloxiran-2-yl]methyl]-1H-indole

C18H23NO2 — CID 15765755

IUPAC3,5-bis[[(2R)-3,3-dimethyloxiran-2-yl]methyl]-1H-indole
SMILESCC1(C)O[C@@H]1Cc1ccc2[nH]cc(C[C@H]3OC3(C)C)c2c1
InChIInChI=1S/C18H23NO2/c1-17(2)15(20-17)8-11-5-6-14-13(7-11)12(10-19-14)9-16-18(3,4)21-16/h5-7,10,15-16,19H,8-9H2,1-4H3/t15-,16-/m1/s1
InChIKeyBDCXIQBZUKFYBG-HZPDHXFCSA-N
MW285.39 g/mol
LogP3.61
Rot. Bonds4

About 3,5-bis[[(2R)-3,3-dimethyloxiran-2-yl]methyl]-1H-indole

3,5-bis[[(2R)-3,3-dimethyloxiran-2-yl]methyl]-1H-indole (PubChem CID 15765755) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3,5-bis[[(2R)-3,3-dimethyloxiran-2-yl]methyl]-1H-indole.

Molecular Properties

Compound Name3,5-bis[[(2R)-3,3-dimethyloxiran-2-yl]methyl]-1H-indole
PubChem CID15765755
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name3,5-bis[[(2R)-3,3-dimethyloxiran-2-yl]methyl]-1H-indole
SMILESCC1(C)O[C@@H]1Cc1ccc2[nH]cc(C[C@H]3OC3(C)C)c2c1
InChIInChI=1S/C18H23NO2/c1-17(2)15(20-17)8-11-5-6-14-13(7-11)12(10-19-14)9-16-18(3,4)21-16/h5-7,10,15-16,19H,8-9H2,1-4H3/t15-,16-/m1/s1
InChIKeyBDCXIQBZUKFYBG-HZPDHXFCSA-N
XLogP3.61
TPSA40.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-(5-ethyl-1H-indol-3-yl)-N-methylmethanamine
CID 82490825
2-[3-[(dimethylamino)methyl]-1H-indol-5-yl]acetonitrile
CID 170886401
(4S)-4-[[3-(2-amino-2-methylpropyl)-1H-indol-5-yl]methyl]-1,3-oxazolidine-2-carbaldehyde
CID 174624916
2-[5-(hydroxymethyl)-1H-indol-3-yl]ethanol
CID 118042200
4-[[3-(2-hydroxyethyl)-1H-indol-5-yl]methyl]-3-methyl-1,3-oxazolidin-2-one
CID 70273448
3-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-1H-indole
CID 57218334
5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-3-methylimidazolidine-2,4-dione
CID 10469232
(4S)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;hydrofluoride
CID 71478513
N,N-dimethyl-2-[5-[[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl]-1H-indol-3-yl]ethanamine oxide
CID 25241756
1-[2-(5-ethyl-1H-indol-3-yl)ethyl]cyclopropan-1-amine
CID 105486018
[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methanol
CID 10262849
5-methyl-3-(piperidin-4-ylmethyl)-1H-indole
CID 82494836

Frequently Asked Questions

What is the IUPAC name of 3,5-bis[[(2R)-3,3-dimethyloxiran-2-yl]methyl]-1H-indole?
The IUPAC name of 3,5-bis[[(2R)-3,3-dimethyloxiran-2-yl]methyl]-1H-indole (CID 15765755) is 3,5-bis[[(2R)-3,3-dimethyloxiran-2-yl]methyl]-1H-indole.
What is the SMILES notation for 3,5-bis[[(2R)-3,3-dimethyloxiran-2-yl]methyl]-1H-indole?
The canonical SMILES for 3,5-bis[[(2R)-3,3-dimethyloxiran-2-yl]methyl]-1H-indole is CC1(C)O[C@@H]1Cc1ccc2[nH]cc(C[C@H]3OC3(C)C)c2c1.
What is the InChIKey of 3,5-bis[[(2R)-3,3-dimethyloxiran-2-yl]methyl]-1H-indole?
The InChIKey is BDCXIQBZUKFYBG-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H23NO2/c1-17(2)15(20-17)8-11-5-6-14-13(7-11)12(10-19-14)9-16-18(3,4)21-16/h5-7,10,15-16,19H,8-9H2,1-4H3/t15-,16-/m1/s1.
What are the key properties of 3,5-bis[[(2R)-3,3-dimethyloxiran-2-yl]methyl]-1H-indole?
3,5-bis[[(2R)-3,3-dimethyloxiran-2-yl]methyl]-1H-indole has a molecular weight of 285.39 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[[(2R)-3,3-dimethyloxiran-2-yl]methyl]-1H-indole is sourced from PubChem (CID 15765755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).