methyl 3-(2-oxo-1,3-dihydroindol-5-yl)oxetane-3-carboxylate

C13H13NO4 — CID 116873514

IUPACmethyl 3-(2-oxo-1,3-dihydroindol-5-yl)oxetane-3-carboxylate
SMILESCOC(=O)C1(c2ccc3c(c2)CC(=O)N3)COC1
InChIInChI=1S/C13H13NO4/c1-17-12(16)13(6-18-7-13)9-2-3-10-8(4-9)5-11(15)14-10/h2-4H,5-7H2,1H3,(H,14,15)
InChIKeyCFTOZGUDTFDZQB-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.62
Rot. Bonds2

About methyl 3-(2-oxo-1,3-dihydroindol-5-yl)oxetane-3-carboxylate

methyl 3-(2-oxo-1,3-dihydroindol-5-yl)oxetane-3-carboxylate (PubChem CID 116873514) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is methyl 3-(2-oxo-1,3-dihydroindol-5-yl)oxetane-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-oxo-1,3-dihydroindol-5-yl)oxetane-3-carboxylate
PubChem CID116873514
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Namemethyl 3-(2-oxo-1,3-dihydroindol-5-yl)oxetane-3-carboxylate
SMILESCOC(=O)C1(c2ccc3c(c2)CC(=O)N3)COC1
InChIInChI=1S/C13H13NO4/c1-17-12(16)13(6-18-7-13)9-2-3-10-8(4-9)5-11(15)14-10/h2-4H,5-7H2,1H3,(H,14,15)
InChIKeyCFTOZGUDTFDZQB-UHFFFAOYSA-N
XLogP0.62
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[3-(2-oxo-1,3-dihydroindol-5-yl)oxetan-3-yl]acetate
CID 116873450
5-(3-hydroxyoxetan-3-yl)-1,3-dihydroindol-2-one
CID 116872972
5-(3-aminooxetan-3-yl)-1,3-dihydroindol-2-one
CID 116872639
N',N'-dimethyl-1-(2-oxo-1,3-dihydroindol-5-yl)cyclopropane-1-carbohydrazide
CID 116848329
N-methyl-1-(2-oxo-1,3-dihydroindol-5-yl)cyclopropane-1-carbohydrazide
CID 116846053
5-[3-(2-sulfanylethyl)oxetan-3-yl]-1,3-dihydroindol-2-one
CID 116872550
methyl 1-(3-oxo-4H-1,4-benzoxazin-6-yl)cyclopropane-1-carboxylate
CID 116964003
methyl 3-(3-ethoxy-4-methoxyphenyl)oxetane-3-carboxylate
CID 116989348
5-(methoxymethyl)-1,3-dihydroindol-2-one
CID 22154148
methyl 2-[methyl-[(2-oxo-1,3-dihydroindol-5-yl)methyl]amino]-2-oxoacetate
CID 115142468
methyl 2,3-dihydroxy-3-(2-oxo-1,3-dihydroindol-5-yl)propanoate
CID 171864289
5-(1-hydroxy-4-oxocyclohexyl)-1,3-dihydroindol-2-one
CID 141283388

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-oxo-1,3-dihydroindol-5-yl)oxetane-3-carboxylate?
The IUPAC name of methyl 3-(2-oxo-1,3-dihydroindol-5-yl)oxetane-3-carboxylate (CID 116873514) is methyl 3-(2-oxo-1,3-dihydroindol-5-yl)oxetane-3-carboxylate.
What is the SMILES notation for methyl 3-(2-oxo-1,3-dihydroindol-5-yl)oxetane-3-carboxylate?
The canonical SMILES for methyl 3-(2-oxo-1,3-dihydroindol-5-yl)oxetane-3-carboxylate is COC(=O)C1(c2ccc3c(c2)CC(=O)N3)COC1.
What is the InChIKey of methyl 3-(2-oxo-1,3-dihydroindol-5-yl)oxetane-3-carboxylate?
The InChIKey is CFTOZGUDTFDZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-17-12(16)13(6-18-7-13)9-2-3-10-8(4-9)5-11(15)14-10/h2-4H,5-7H2,1H3,(H,14,15).
What are the key properties of methyl 3-(2-oxo-1,3-dihydroindol-5-yl)oxetane-3-carboxylate?
methyl 3-(2-oxo-1,3-dihydroindol-5-yl)oxetane-3-carboxylate has a molecular weight of 247.25 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-oxo-1,3-dihydroindol-5-yl)oxetane-3-carboxylate is sourced from PubChem (CID 116873514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).