methyl 2-(2,3-dihydro-1H-indol-5-yl)acetate

C11H13NO2 — CID 10888757

IUPACmethyl 2-(2,3-dihydro-1H-indol-5-yl)acetate
SMILESCOC(=O)Cc1ccc2c(c1)CCN2
InChIInChI=1S/C11H13NO2/c1-14-11(13)7-8-2-3-10-9(6-8)4-5-12-10/h2-3,6,12H,4-5,7H2,1H3
InChIKeyVHCHZAYZABZJOE-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.37
Rot. Bonds2

About methyl 2-(2,3-dihydro-1H-indol-5-yl)acetate

methyl 2-(2,3-dihydro-1H-indol-5-yl)acetate (PubChem CID 10888757) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is methyl 2-(2,3-dihydro-1H-indol-5-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2,3-dihydro-1H-indol-5-yl)acetate
PubChem CID10888757
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Namemethyl 2-(2,3-dihydro-1H-indol-5-yl)acetate
SMILESCOC(=O)Cc1ccc2c(c1)CCN2
InChIInChI=1S/C11H13NO2/c1-14-11(13)7-8-2-3-10-9(6-8)4-5-12-10/h2-3,6,12H,4-5,7H2,1H3
InChIKeyVHCHZAYZABZJOE-UHFFFAOYSA-N
XLogP1.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(2,3-dihydro-1H-indol-5-yl)but-3-ynoate
CID 170469619
5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 103534936
2-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]acetic acid
CID 82039136
4-(2,3-dihydro-1H-indol-5-ylmethoxy)phenol
CID 115103984
methyl 2-(1,2,3,4-tetrahydroquinolin-6-ylsulfamoyl)acetate
CID 55173042
methyl 2-(2-amino-2,3-dihydro-1H-inden-5-yl)acetate
CID 14071505
3-(2,3-dihydro-1H-indol-5-yl)-N-methylpropan-1-amine
CID 115105456
methyl 2-(2,2-dimethyl-3,4-dihydro-1,4-benzoxazin-7-yl)acetate
CID 156566217
ethyl 3-(1,2,3,4-tetrahydroquinolin-6-yl)propanoate
CID 23003903
1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 170999934
N-[4-(2-hydroxyethyl)phenyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 61237345
4-[2-(2,3-dihydro-1H-indol-5-yl)ethylamino]butanoic acid
CID 82256904

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,3-dihydro-1H-indol-5-yl)acetate?
The IUPAC name of methyl 2-(2,3-dihydro-1H-indol-5-yl)acetate (CID 10888757) is methyl 2-(2,3-dihydro-1H-indol-5-yl)acetate.
What is the SMILES notation for methyl 2-(2,3-dihydro-1H-indol-5-yl)acetate?
The canonical SMILES for methyl 2-(2,3-dihydro-1H-indol-5-yl)acetate is COC(=O)Cc1ccc2c(c1)CCN2.
What is the InChIKey of methyl 2-(2,3-dihydro-1H-indol-5-yl)acetate?
The InChIKey is VHCHZAYZABZJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-14-11(13)7-8-2-3-10-9(6-8)4-5-12-10/h2-3,6,12H,4-5,7H2,1H3.
What are the key properties of methyl 2-(2,3-dihydro-1H-indol-5-yl)acetate?
methyl 2-(2,3-dihydro-1H-indol-5-yl)acetate has a molecular weight of 191.23 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,3-dihydro-1H-indol-5-yl)acetate is sourced from PubChem (CID 10888757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).