methyl 1-(2-methylpropanoyl)-2,3-dihydroindole-5-carboxylate

C14H17NO3 — CID 86917334

IUPACmethyl 1-(2-methylpropanoyl)-2,3-dihydroindole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCN2C(=O)C(C)C
InChIInChI=1S/C14H17NO3/c1-9(2)13(16)15-7-6-10-8-11(14(17)18-3)4-5-12(10)15/h4-5,8-9H,6-7H2,1-3H3
InChIKeyHLJUVEZAKPDFSA-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.02
Rot. Bonds2

About methyl 1-(2-methylpropanoyl)-2,3-dihydroindole-5-carboxylate

methyl 1-(2-methylpropanoyl)-2,3-dihydroindole-5-carboxylate (PubChem CID 86917334) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is methyl 1-(2-methylpropanoyl)-2,3-dihydroindole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-methylpropanoyl)-2,3-dihydroindole-5-carboxylate
PubChem CID86917334
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Namemethyl 1-(2-methylpropanoyl)-2,3-dihydroindole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCN2C(=O)C(C)C
InChIInChI=1S/C14H17NO3/c1-9(2)13(16)15-7-6-10-8-11(14(17)18-3)4-5-12(10)15/h4-5,8-9H,6-7H2,1-3H3
InChIKeyHLJUVEZAKPDFSA-UHFFFAOYSA-N
XLogP2.02
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-[3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]-2,3-dihydroindole-5-carboxylate
CID 42896690
methyl 1-[2-(3-methylphenoxy)propanoyl]-2,3-dihydroindole-5-carboxylate
CID 134033414
1-[5-(2-chloroacetyl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one
CID 28803845
methyl 1-benzoyl-2,3-dihydroindole-5-carboxylate
CID 10660450
methyl 1-(2-phenoxy-2-phenylacetyl)-2,3-dihydroindole-5-carboxylate
CID 55758876
2-bromo-3-methyl-1-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]butan-1-one
CID 82258865
2-methyl-1-(5-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 110713868
methyl 1-(3,3-dimethylbutanoyl)-2,3-dihydroindole-5-carboxylate
CID 86917336
methyl 1-[2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]-2,3-dihydroindole-5-carboxylate
CID 55514242
methyl 1-(cyclohexanecarbonyl)-2,3-dihydroindole-5-carboxylate
CID 86917335
methyl 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]-2,3-dihydroindole-5-carboxylate
CID 71874787
methyl 1-[3-(4-propan-2-ylphenyl)propanoyl]-2,3-dihydroindole-5-carboxylate
CID 55775940

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-methylpropanoyl)-2,3-dihydroindole-5-carboxylate?
The IUPAC name of methyl 1-(2-methylpropanoyl)-2,3-dihydroindole-5-carboxylate (CID 86917334) is methyl 1-(2-methylpropanoyl)-2,3-dihydroindole-5-carboxylate.
What is the SMILES notation for methyl 1-(2-methylpropanoyl)-2,3-dihydroindole-5-carboxylate?
The canonical SMILES for methyl 1-(2-methylpropanoyl)-2,3-dihydroindole-5-carboxylate is COC(=O)c1ccc2c(c1)CCN2C(=O)C(C)C.
What is the InChIKey of methyl 1-(2-methylpropanoyl)-2,3-dihydroindole-5-carboxylate?
The InChIKey is HLJUVEZAKPDFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-9(2)13(16)15-7-6-10-8-11(14(17)18-3)4-5-12(10)15/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of methyl 1-(2-methylpropanoyl)-2,3-dihydroindole-5-carboxylate?
methyl 1-(2-methylpropanoyl)-2,3-dihydroindole-5-carboxylate has a molecular weight of 247.29 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-methylpropanoyl)-2,3-dihydroindole-5-carboxylate is sourced from PubChem (CID 86917334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).