methyl 2-(2-acetamido-6-methyl-1H-indol-3-yl)prop-2-enoate

C15H16N2O3 — CID 70590202

IUPACmethyl 2-(2-acetamido-6-methyl-1H-indol-3-yl)prop-2-enoate
SMILESC=C(C(=O)OC)c1c(NC(C)=O)[nH]c2cc(C)ccc12
InChIInChI=1S/C15H16N2O3/c1-8-5-6-11-12(7-8)17-14(16-10(3)18)13(11)9(2)15(19)20-4/h5-7,17H,2H2,1,3-4H3,(H,16,18)
InChIKeyQVIFYTCCVZIPHK-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.62
Rot. Bonds3

About methyl 2-(2-acetamido-6-methyl-1H-indol-3-yl)prop-2-enoate

methyl 2-(2-acetamido-6-methyl-1H-indol-3-yl)prop-2-enoate (PubChem CID 70590202) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is methyl 2-(2-acetamido-6-methyl-1H-indol-3-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-(2-acetamido-6-methyl-1H-indol-3-yl)prop-2-enoate
PubChem CID70590202
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Namemethyl 2-(2-acetamido-6-methyl-1H-indol-3-yl)prop-2-enoate
SMILESC=C(C(=O)OC)c1c(NC(C)=O)[nH]c2cc(C)ccc12
InChIInChI=1S/C15H16N2O3/c1-8-5-6-11-12(7-8)17-14(16-10(3)18)13(11)9(2)15(19)20-4/h5-7,17H,2H2,1,3-4H3,(H,16,18)
InChIKeyQVIFYTCCVZIPHK-UHFFFAOYSA-N
XLogP2.62
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl 2-(2-acetamido-6-methyl-1H-indol-3-yl)prop-2-enoate 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

2-(carbamoylamino)-6-methyl-1H-indole-3-carboxamide
CID 59189951
methyl 2,6-dimethyl-1H-indole-3-carboxylate
CID 74890490
1-(2,6-dimethyl-1H-indol-3-yl)ethanone
CID 51342127
1-(6-methyl-2-phenyl-1H-indol-3-yl)ethanone
CID 139093839
methyl 3-amino-6-methyl-1H-indole-2-carboxylate
CID 4777916
methyl 2-(2,6-dimethyl-1H-indol-3-yl)acetate
CID 54107367
N-[4-(6-methyl-1H-indol-2-yl)phenyl]acetamide
CID 91585636
6-methyl-2-(trifluoromethyl)-1H-indole-3-carboxylic acid
CID 83488076
2-buta-1,3-dien-2-yl-7-methyl-1H-quinolin-4-one
CID 142894990
ethyl 2-(3,6-dimethyl-1H-indol-2-yl)-2-oxoacetate
CID 115072754
6-(3-acetamidophenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide
CID 59189816
2-[2,2-dimethoxyethyl(methyl)amino]-1-(2,6-dimethyl-1H-indol-3-yl)ethanone
CID 3539182

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-acetamido-6-methyl-1H-indol-3-yl)prop-2-enoate?
The IUPAC name of methyl 2-(2-acetamido-6-methyl-1H-indol-3-yl)prop-2-enoate (CID 70590202) is methyl 2-(2-acetamido-6-methyl-1H-indol-3-yl)prop-2-enoate.
What is the SMILES notation for methyl 2-(2-acetamido-6-methyl-1H-indol-3-yl)prop-2-enoate?
The canonical SMILES for methyl 2-(2-acetamido-6-methyl-1H-indol-3-yl)prop-2-enoate is C=C(C(=O)OC)c1c(NC(C)=O)[nH]c2cc(C)ccc12.
What is the InChIKey of methyl 2-(2-acetamido-6-methyl-1H-indol-3-yl)prop-2-enoate?
The InChIKey is QVIFYTCCVZIPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-8-5-6-11-12(7-8)17-14(16-10(3)18)13(11)9(2)15(19)20-4/h5-7,17H,2H2,1,3-4H3,(H,16,18).
What are the key properties of methyl 2-(2-acetamido-6-methyl-1H-indol-3-yl)prop-2-enoate?
methyl 2-(2-acetamido-6-methyl-1H-indol-3-yl)prop-2-enoate has a molecular weight of 272.30 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-acetamido-6-methyl-1H-indol-3-yl)prop-2-enoate is sourced from PubChem (CID 70590202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).