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

C11H13NO3 — CID 91608162

IUPACmethyl 2-methoxy-2,3-dihydro-1H-indole-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)NC(OC)C2
InChIInChI=1S/C11H13NO3/c1-14-10-6-7-3-4-8(11(13)15-2)5-9(7)12-10/h3-5,10,12H,6H2,1-2H3
InChIKeyBUEQXNFHHDIVAK-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.41
Rot. Bonds2

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

methyl 2-methoxy-2,3-dihydro-1H-indole-6-carboxylate (PubChem CID 91608162) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is methyl 2-methoxy-2,3-dihydro-1H-indole-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-methoxy-2,3-dihydro-1H-indole-6-carboxylate
PubChem CID91608162
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Namemethyl 2-methoxy-2,3-dihydro-1H-indole-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)NC(OC)C2
InChIInChI=1S/C11H13NO3/c1-14-10-6-7-3-4-8(11(13)15-2)5-9(7)12-10/h3-5,10,12H,6H2,1-2H3
InChIKeyBUEQXNFHHDIVAK-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-sulfanyl-1,2,3,4-tetrahydroquinazoline-7-carboxylate
CID 141413895
methyl 2-propyl-1,2,3,4-tetrahydroquinoline-7-carboxylate
CID 86099354
methyl (2R)-2-amino-2,3-dihydro-1H-indene-5-carboxylate
CID 98007137
methyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-3,4-dihydro-1H-quinoline-7-carboxylate
CID 177164736
methyl (3R)-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylate
CID 155905494
methyl 7-fluoro-8-oxo-6,7-dihydro-5H-naphthalene-2-carboxylate
CID 58406815
6-methoxycarbonyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 71383857
methyl 2-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophene-6-carboxylate
CID 19355181
methyl 4-hydroxy-2,3,4,5-tetrahydro-1,5-benzoxazepine-7-carboxylate
CID 123651404
methyl 3-(methylamino)-2,3-dihydro-1H-indene-5-carboxylate
CID 59505320
methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate
CID 10656920
methyl (1R,10S,13R)-13-amino-13-(propylaminomethyl)tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene-5-carboxylate
CID 90916506

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-2,3-dihydro-1H-indole-6-carboxylate?
The IUPAC name of methyl 2-methoxy-2,3-dihydro-1H-indole-6-carboxylate (CID 91608162) is methyl 2-methoxy-2,3-dihydro-1H-indole-6-carboxylate.
What is the SMILES notation for methyl 2-methoxy-2,3-dihydro-1H-indole-6-carboxylate?
The canonical SMILES for methyl 2-methoxy-2,3-dihydro-1H-indole-6-carboxylate is COC(=O)c1ccc2c(c1)NC(OC)C2.
What is the InChIKey of methyl 2-methoxy-2,3-dihydro-1H-indole-6-carboxylate?
The InChIKey is BUEQXNFHHDIVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-14-10-6-7-3-4-8(11(13)15-2)5-9(7)12-10/h3-5,10,12H,6H2,1-2H3.
What are the key properties of methyl 2-methoxy-2,3-dihydro-1H-indole-6-carboxylate?
methyl 2-methoxy-2,3-dihydro-1H-indole-6-carboxylate has a molecular weight of 207.23 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-2,3-dihydro-1H-indole-6-carboxylate is sourced from PubChem (CID 91608162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).