methyl 4-methoxy-2,3-dihydro-1H-indole-6-carboxylate

C11H13NO3 — CID 68701783

IUPACmethyl 4-methoxy-2,3-dihydro-1H-indole-6-carboxylate
SMILESCOC(=O)c1cc2c(c(OC)c1)CCN2
InChIInChI=1S/C11H13NO3/c1-14-10-6-7(11(13)15-2)5-9-8(10)3-4-12-9/h5-6,12H,3-4H2,1-2H3
InChIKeyTXNGSQBGAIUBEG-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.45
Rot. Bonds2

About methyl 4-methoxy-2,3-dihydro-1H-indole-6-carboxylate

methyl 4-methoxy-2,3-dihydro-1H-indole-6-carboxylate (PubChem CID 68701783) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is methyl 4-methoxy-2,3-dihydro-1H-indole-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-methoxy-2,3-dihydro-1H-indole-6-carboxylate
PubChem CID68701783
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Namemethyl 4-methoxy-2,3-dihydro-1H-indole-6-carboxylate
SMILESCOC(=O)c1cc2c(c(OC)c1)CCN2
InChIInChI=1S/C11H13NO3/c1-14-10-6-7(11(13)15-2)5-9-8(10)3-4-12-9/h5-6,12H,3-4H2,1-2H3
InChIKeyTXNGSQBGAIUBEG-UHFFFAOYSA-N
XLogP1.45
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(3-fluorophenyl)-2,3-dihydro-1H-indole-6-carboxylate
CID 155920785
methyl 8-amino-1,2,3,4-tetrahydroquinoxaline-6-carboxylate
CID 138491920
1-(2,3-dihydro-1H-indol-4-yl)-3-(2-methoxyphenyl)urea
CID 66613515
methyl 3-methoxy-4-(2-oxopiperidin-1-yl)benzoate
CID 53419638
methyl 8-iodo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate
CID 45043237
methyl 8-fluoro-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate
CID 45043236
methyl 2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine-7-carboxylate
CID 91827961
2,3-dihydro-1H-indol-5-yl-(3,4-dimethoxyphenyl)methanone
CID 116554163
methyl 3,5-dimethoxy-4-prop-1-en-2-ylbenzoate
CID 11528794
methyl 4-amino-3-methoxybenzoate
CID 602411
methyl 8-methoxycinnoline-6-carboxylate
CID 156872747
methyl 3-ethyl-7-methoxy-1,2-dihydrobenzimidazole-5-carboxylate
CID 90946670

Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-2,3-dihydro-1H-indole-6-carboxylate?
The IUPAC name of methyl 4-methoxy-2,3-dihydro-1H-indole-6-carboxylate (CID 68701783) is methyl 4-methoxy-2,3-dihydro-1H-indole-6-carboxylate.
What is the SMILES notation for methyl 4-methoxy-2,3-dihydro-1H-indole-6-carboxylate?
The canonical SMILES for methyl 4-methoxy-2,3-dihydro-1H-indole-6-carboxylate is COC(=O)c1cc2c(c(OC)c1)CCN2.
What is the InChIKey of methyl 4-methoxy-2,3-dihydro-1H-indole-6-carboxylate?
The InChIKey is TXNGSQBGAIUBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-14-10-6-7(11(13)15-2)5-9-8(10)3-4-12-9/h5-6,12H,3-4H2,1-2H3.
What are the key properties of methyl 4-methoxy-2,3-dihydro-1H-indole-6-carboxylate?
methyl 4-methoxy-2,3-dihydro-1H-indole-6-carboxylate has a molecular weight of 207.23 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-2,3-dihydro-1H-indole-6-carboxylate is sourced from PubChem (CID 68701783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).