methyl 1-methyl-2-propylindole-3-carboxylate

C14H17NO2 — CID 102080307

IUPACmethyl 1-methyl-2-propylindole-3-carboxylate
SMILESCCCc1c(C(=O)OC)c2ccccc2n1C
InChIInChI=1S/C14H17NO2/c1-4-7-12-13(14(16)17-3)10-8-5-6-9-11(10)15(12)2/h5-6,8-9H,4,7H2,1-3H3
InChIKeySXWSKHFHWHRSJR-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.92
Rot. Bonds3

About methyl 1-methyl-2-propylindole-3-carboxylate

methyl 1-methyl-2-propylindole-3-carboxylate (PubChem CID 102080307) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is methyl 1-methyl-2-propylindole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-2-propylindole-3-carboxylate
PubChem CID102080307
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Namemethyl 1-methyl-2-propylindole-3-carboxylate
SMILESCCCc1c(C(=O)OC)c2ccccc2n1C
InChIInChI=1S/C14H17NO2/c1-4-7-12-13(14(16)17-3)10-8-5-6-9-11(10)15(12)2/h5-6,8-9H,4,7H2,1-3H3
InChIKeySXWSKHFHWHRSJR-UHFFFAOYSA-N
XLogP2.92
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2-hydrazinyl-2-oxoethyl)-1-methylindole-3-carboxylate
CID 13186153
2-butyl-1-methylindole-3-carboxylic acid
CID 18505279
methyl 2-(1-hydroxyethyl)-1-methylindole-3-carboxylate
CID 10704781
dimethyl anthracene-9,10-dicarboxylate
CID 139057809
methyl 1-methyl-2-oxo-4-phenylquinoline-3-carboxylate
CID 154227733
methyl 5-chloro-2-(chloromethyl)-1-methylindole-3-carboxylate
CID 58771143
4-(1,3-dimethylindol-2-yl)butan-2-one
CID 14147978
methyl 4-methyl-3H-pyrrolo[2,3-b]indole-2-carboxylate
CID 13398396
methyl 7-(2-hydroxyacetyl)pyrido[1,2-a]indole-10-carboxylate
CID 66667573
2-[3-(hydroxymethyl)-1-methylindol-2-yl]ethanol
CID 12666442
ethyl 3-methoxy-1-methylindole-2-carboxylate
CID 12619890
ethyl 2-(1-methyl-3-octadecanoylindol-2-yl)acetate
CID 10743452

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-2-propylindole-3-carboxylate?
The IUPAC name of methyl 1-methyl-2-propylindole-3-carboxylate (CID 102080307) is methyl 1-methyl-2-propylindole-3-carboxylate.
What is the SMILES notation for methyl 1-methyl-2-propylindole-3-carboxylate?
The canonical SMILES for methyl 1-methyl-2-propylindole-3-carboxylate is CCCc1c(C(=O)OC)c2ccccc2n1C.
What is the InChIKey of methyl 1-methyl-2-propylindole-3-carboxylate?
The InChIKey is SXWSKHFHWHRSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-4-7-12-13(14(16)17-3)10-8-5-6-9-11(10)15(12)2/h5-6,8-9H,4,7H2,1-3H3.
What are the key properties of methyl 1-methyl-2-propylindole-3-carboxylate?
methyl 1-methyl-2-propylindole-3-carboxylate has a molecular weight of 231.30 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-2-propylindole-3-carboxylate is sourced from PubChem (CID 102080307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).