methyl 2-[3-(2-methyl-1H-indol-3-yl)oxetan-3-yl]acetate

C15H17NO3 — CID 116873455

IUPACmethyl 2-[3-(2-methyl-1H-indol-3-yl)oxetan-3-yl]acetate
SMILESCOC(=O)CC1(c2c(C)[nH]c3ccccc23)COC1
InChIInChI=1S/C15H17NO3/c1-10-14(11-5-3-4-6-12(11)16-10)15(8-19-9-15)7-13(17)18-2/h3-6,16H,7-9H2,1-2H3
InChIKeyYZKSSWAUTDMBFC-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.31
Rot. Bonds3

About methyl 2-[3-(2-methyl-1H-indol-3-yl)oxetan-3-yl]acetate

methyl 2-[3-(2-methyl-1H-indol-3-yl)oxetan-3-yl]acetate (PubChem CID 116873455) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is methyl 2-[3-(2-methyl-1H-indol-3-yl)oxetan-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(2-methyl-1H-indol-3-yl)oxetan-3-yl]acetate
PubChem CID116873455
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Namemethyl 2-[3-(2-methyl-1H-indol-3-yl)oxetan-3-yl]acetate
SMILESCOC(=O)CC1(c2c(C)[nH]c3ccccc23)COC1
InChIInChI=1S/C15H17NO3/c1-10-14(11-5-3-4-6-12(11)16-10)15(8-19-9-15)7-13(17)18-2/h3-6,16H,7-9H2,1-2H3
InChIKeyYZKSSWAUTDMBFC-UHFFFAOYSA-N
XLogP2.31
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(2-methyl-1H-indol-3-yl)methyl]oxetane-3-carboxylate
CID 116930240
3-(2-methyl-1H-indol-3-yl)oxetane-3-thiol
CID 116872874
2-(4-methoxyphenyl)-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]acetamide
CID 113085795
methyl 4-(2-methyl-1H-indol-3-yl)butanoate
CID 10609557
3-[(2-methyl-1H-indol-3-yl)methyl]oxetane-3-carboxylic acid
CID 116930115
N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]-2-(4-methylphenoxy)acetamide
CID 113085807
4-chloro-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]benzamide
CID 113085802
N-[(3,4-dimethoxyphenyl)methyl]-1-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113211726
methyl 2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]acetate
CID 116873446
methyl 2-methyl-1H-indole-3-carboxylate
CID 594174
2-(3-bromophenyl)-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]acetamide
CID 113085824
2-(3-fluorophenyl)-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]acetamide
CID 113085814

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(2-methyl-1H-indol-3-yl)oxetan-3-yl]acetate?
The IUPAC name of methyl 2-[3-(2-methyl-1H-indol-3-yl)oxetan-3-yl]acetate (CID 116873455) is methyl 2-[3-(2-methyl-1H-indol-3-yl)oxetan-3-yl]acetate.
What is the SMILES notation for methyl 2-[3-(2-methyl-1H-indol-3-yl)oxetan-3-yl]acetate?
The canonical SMILES for methyl 2-[3-(2-methyl-1H-indol-3-yl)oxetan-3-yl]acetate is COC(=O)CC1(c2c(C)[nH]c3ccccc23)COC1.
What is the InChIKey of methyl 2-[3-(2-methyl-1H-indol-3-yl)oxetan-3-yl]acetate?
The InChIKey is YZKSSWAUTDMBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-10-14(11-5-3-4-6-12(11)16-10)15(8-19-9-15)7-13(17)18-2/h3-6,16H,7-9H2,1-2H3.
What are the key properties of methyl 2-[3-(2-methyl-1H-indol-3-yl)oxetan-3-yl]acetate?
methyl 2-[3-(2-methyl-1H-indol-3-yl)oxetan-3-yl]acetate has a molecular weight of 259.31 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(2-methyl-1H-indol-3-yl)oxetan-3-yl]acetate is sourced from PubChem (CID 116873455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).