methyl 3-(1-acetyl-2,3-dihydroindol-3-yl)propanoate

C14H17NO3 — CID 16726196

IUPACmethyl 3-(1-acetyl-2,3-dihydroindol-3-yl)propanoate
SMILESCOC(=O)CCC1CN(C(C)=O)c2ccccc21
InChIInChI=1S/C14H17NO3/c1-10(16)15-9-11(7-8-14(17)18-2)12-5-3-4-6-13(12)15/h3-6,11H,7-9H2,1-2H3
InChIKeyDNJONIDEFIZKAR-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.09
Rot. Bonds3

About methyl 3-(1-acetyl-2,3-dihydroindol-3-yl)propanoate

methyl 3-(1-acetyl-2,3-dihydroindol-3-yl)propanoate (PubChem CID 16726196) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is methyl 3-(1-acetyl-2,3-dihydroindol-3-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(1-acetyl-2,3-dihydroindol-3-yl)propanoate
PubChem CID16726196
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Namemethyl 3-(1-acetyl-2,3-dihydroindol-3-yl)propanoate
SMILESCOC(=O)CCC1CN(C(C)=O)c2ccccc21
InChIInChI=1S/C14H17NO3/c1-10(16)15-9-11(7-8-14(17)18-2)12-5-3-4-6-13(12)15/h3-6,11H,7-9H2,1-2H3
InChIKeyDNJONIDEFIZKAR-UHFFFAOYSA-N
XLogP2.09
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate
CID 667795
ethyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate
CID 2140509
3-(1-methyl-2-sulfanylidene-2,3-dihydro-1H-indol-3-yl)propanoic acid
CID 5328540
3-Ethyl-1-methyl-1,3-dihydro-2H-indol-2-one
CID 247491
Pentopril
CID 6917815
methyl 2-(1-methyl-2-sulfanylidene-2,3-dihydro-1H-indol-3-yl)acetate
CID 5328538
methyl 2,3-dihydro-2-thioxo-1H-indole-3-propanoate
CID 5328541
methyl 3-(1-methyl-2-sulfanylidene-2,3-dihydro-1H-indol-3-yl)propanoate
CID 5328542
4-(1-methyl-2-sulfanylidene-2,3-dihydro-1H-indol-3-yl)butanoic acid
CID 5328544
methyl 4-(1-methyl-2-sulfanylidene-2,3-dihydro-1H-indol-3-yl)butanoate
CID 5328546
1-(4-Carboxy-2-methylpentanoyl)-2,3-dihydro-1h-indole-2-carboxylic acid
CID 134126
1-(2,3-dihydro-1H-indol-1-yl)-3-phenylbutan-1-one
CID 2914368

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1-acetyl-2,3-dihydroindol-3-yl)propanoate?
The IUPAC name of methyl 3-(1-acetyl-2,3-dihydroindol-3-yl)propanoate (CID 16726196) is methyl 3-(1-acetyl-2,3-dihydroindol-3-yl)propanoate.
What is the SMILES notation for methyl 3-(1-acetyl-2,3-dihydroindol-3-yl)propanoate?
The canonical SMILES for methyl 3-(1-acetyl-2,3-dihydroindol-3-yl)propanoate is COC(=O)CCC1CN(C(C)=O)c2ccccc21.
What is the InChIKey of methyl 3-(1-acetyl-2,3-dihydroindol-3-yl)propanoate?
The InChIKey is DNJONIDEFIZKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-10(16)15-9-11(7-8-14(17)18-2)12-5-3-4-6-13(12)15/h3-6,11H,7-9H2,1-2H3.
What are the key properties of methyl 3-(1-acetyl-2,3-dihydroindol-3-yl)propanoate?
methyl 3-(1-acetyl-2,3-dihydroindol-3-yl)propanoate has a molecular weight of 247.29 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1-acetyl-2,3-dihydroindol-3-yl)propanoate is sourced from PubChem (CID 16726196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).