2,3-dihydro-1H-indole;methyl acetate

C11H15NO2 — CID 160533023

IUPAC2,3-dihydro-1H-indole;methyl acetate
SMILESCOC(C)=O.c1ccc2c(c1)CCN2
InChIInChI=1S/C8H9N.C3H6O2/c1-2-4-8-7(3-1)5-6-9-8;1-3(4)5-2/h1-4,9H,5-6H2;1-2H3
InChIKeyQVUKBHWSGPFLEA-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.83
Rot. Bonds

About 2,3-dihydro-1H-indole;methyl acetate

2,3-dihydro-1H-indole;methyl acetate (PubChem CID 160533023) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2,3-dihydro-1H-indole;methyl acetate.

Molecular Properties

Compound Name2,3-dihydro-1H-indole;methyl acetate
PubChem CID160533023
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2,3-dihydro-1H-indole;methyl acetate
SMILESCOC(C)=O.c1ccc2c(c1)CCN2
InChIInChI=1S/C8H9N.C3H6O2/c1-2-4-8-7(3-1)5-6-9-8;1-3(4)5-2/h1-4,9H,5-6H2;1-2H3
InChIKeyQVUKBHWSGPFLEA-UHFFFAOYSA-N
XLogP1.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1H-indole;hydrobromide
CID 18680303
2,3-dihydro-1H-indole;heptan-4-one
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2,3-dihydro-1H-indole;ethanamine
CID 23296774
2,3-dihydro-1H-benzimidazole;2,3-dihydro-1H-indole
CID 142166123
2,3-dihydro-1H-indole;N-methylformamide;propane
CID 170578965
propanedioic acid;1,2,3,4-tetrahydroquinoline
CID 66986458
2,3-dihydro-1H-indole;pyridine
CID 160958359
2,3-dihydro-1H-indole;1,2,3,4-tetrahydroisoquinoline
CID 159567822
1H-azepine;2,3-dihydro-1H-indole
CID 159350025
9H-fluorene;methyl acetate
CID 143080534
1,2,3,4-tetrahydroquinoline;hydrobromide
CID 19771761
2,3,4,5-tetrahydro-1H-1-benzazepine
CID 576503

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indole;methyl acetate?
The IUPAC name of 2,3-dihydro-1H-indole;methyl acetate (CID 160533023) is 2,3-dihydro-1H-indole;methyl acetate.
What is the SMILES notation for 2,3-dihydro-1H-indole;methyl acetate?
The canonical SMILES for 2,3-dihydro-1H-indole;methyl acetate is COC(C)=O.c1ccc2c(c1)CCN2.
What is the InChIKey of 2,3-dihydro-1H-indole;methyl acetate?
The InChIKey is QVUKBHWSGPFLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N.C3H6O2/c1-2-4-8-7(3-1)5-6-9-8;1-3(4)5-2/h1-4,9H,5-6H2;1-2H3.
What are the key properties of 2,3-dihydro-1H-indole;methyl acetate?
2,3-dihydro-1H-indole;methyl acetate has a molecular weight of 193.25 g/mol, XLogP of 1.83, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indole;methyl acetate is sourced from PubChem (CID 160533023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).