methyl 4-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)butanoate

C16H21NO3 — CID 82350336

IUPACmethyl 4-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)butanoate
SMILESCOC(=O)CCCc1ccc2c(c1)CC(C)N2C(C)=O
InChIInChI=1S/C16H21NO3/c1-11-9-14-10-13(5-4-6-16(19)20-3)7-8-15(14)17(11)12(2)18/h7-8,10-11H,4-6,9H2,1-3H3
InChIKeyLCMVMQKWOFKRBV-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.48
Rot. Bonds4

About methyl 4-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)butanoate

methyl 4-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)butanoate (PubChem CID 82350336) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is methyl 4-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)butanoate.

Molecular Properties

Compound Namemethyl 4-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)butanoate
PubChem CID82350336
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Namemethyl 4-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)butanoate
SMILESCOC(=O)CCCc1ccc2c(c1)CC(C)N2C(C)=O
InChIInChI=1S/C16H21NO3/c1-11-9-14-10-13(5-4-6-16(19)20-3)7-8-15(14)17(11)12(2)18/h7-8,10-11H,4-6,9H2,1-3H3
InChIKeyLCMVMQKWOFKRBV-UHFFFAOYSA-N
XLogP2.48
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 4-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)-4-oxobutanoate
CID 82347199
methyl 4-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)-3-chlorobutanoate
CID 82352099
methyl 4-(1-methyl-2-oxo-3H-indol-5-yl)butanoate
CID 82350338
5-[2-methyl-1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]pentanoic acid
CID 82260173
1-(2,5-dimethyl-2,3-dihydroindol-1-yl)ethanone
CID 170151207
(1-acetyl-2-methyl-2,3-dihydroindol-5-yl) propanoate
CID 22633597
1-[2-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)ethyl]piperidine-3-carboxylic acid
CID 82260391
1-[5-(2-chloroethyl)-2-methyl-2,3-dihydroindol-1-yl]-2-methylpropan-1-one
CID 82260520
[5-(2-bromoethyl)-2-methyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone
CID 82259192
1-[2-methyl-5-(piperidin-3-ylmethyl)-2,3-dihydroindol-1-yl]ethanone
CID 82260280
1-[5-(4-aminobutyl)-2-methyl-2,3-dihydroindol-1-yl]-3-cyclohexylpropan-1-one
CID 82260067
5-[1-(3-cyclohexylpropanoyl)-2-methyl-2,3-dihydroindol-5-yl]pentanoic acid
CID 82260180

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)butanoate?
The IUPAC name of methyl 4-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)butanoate (CID 82350336) is methyl 4-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)butanoate.
What is the SMILES notation for methyl 4-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)butanoate?
The canonical SMILES for methyl 4-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)butanoate is COC(=O)CCCc1ccc2c(c1)CC(C)N2C(C)=O.
What is the InChIKey of methyl 4-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)butanoate?
The InChIKey is LCMVMQKWOFKRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-11-9-14-10-13(5-4-6-16(19)20-3)7-8-15(14)17(11)12(2)18/h7-8,10-11H,4-6,9H2,1-3H3.
What are the key properties of methyl 4-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)butanoate?
methyl 4-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)butanoate has a molecular weight of 275.35 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)butanoate is sourced from PubChem (CID 82350336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).