(E)-3-(6-methoxy-1,2-dimethylindol-3-yl)prop-2-enoic acid

C14H15NO3 — CID 82497828

IUPAC(E)-3-(6-methoxy-1,2-dimethylindol-3-yl)prop-2-enoic acid
SMILESCOc1ccc2c(/C=C/C(=O)O)c(C)n(C)c2c1
InChIInChI=1S/C14H15NO3/c1-9-11(6-7-14(16)17)12-5-4-10(18-3)8-13(12)15(9)2/h4-8H,1-3H3,(H,16,17)/b7-6+
InChIKeyCUEIVTMDFQODSI-VOTSOKGWSA-N
MW245.28 g/mol
LogP2.59
Rot. Bonds3

About (E)-3-(6-methoxy-1,2-dimethylindol-3-yl)prop-2-enoic acid

(E)-3-(6-methoxy-1,2-dimethylindol-3-yl)prop-2-enoic acid (PubChem CID 82497828) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is (E)-3-(6-methoxy-1,2-dimethylindol-3-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(6-methoxy-1,2-dimethylindol-3-yl)prop-2-enoic acid
PubChem CID82497828
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name(E)-3-(6-methoxy-1,2-dimethylindol-3-yl)prop-2-enoic acid
SMILESCOc1ccc2c(/C=C/C(=O)O)c(C)n(C)c2c1
InChIInChI=1S/C14H15NO3/c1-9-11(6-7-14(16)17)12-5-4-10(18-3)8-13(12)15(9)2/h4-8H,1-3H3,(H,16,17)/b7-6+
InChIKeyCUEIVTMDFQODSI-VOTSOKGWSA-N
XLogP2.59
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(7-methoxy-1,4-dimethyl-2-oxoquinolin-3-yl)prop-2-enoic acid
CID 84641860
(E)-3-(4,6-dimethoxy-1,2-dimethylindol-3-yl)prop-2-enoic acid
CID 98033691
(E)-3-(5-ethoxy-1,2-dimethylindol-3-yl)prop-2-enoic acid
CID 82500275
(E)-3-(2-chloro-5-methoxy-1-methylindol-3-yl)prop-2-enoic acid
CID 82268867
6-methoxy-1,2-dimethylindole-3-carboxamide
CID 71165672
methyl 3-formyl-6-methoxy-1-methylindole-2-carboxylate
CID 4777747
(E)-3-(5-ethyl-1,2-dimethylindol-3-yl)prop-2-enoic acid
CID 82497374
3-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)prop-2-enoic acid
CID 71964428
3-[(5Z)-5-[(6-methoxy-1,2-dimethylindol-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
CID 16649073
(E)-3-[2-chloro-5-methoxy-1-(2-methoxyethyl)indol-3-yl]prop-2-enoic acid
CID 82268905
5-methoxy-1,2-dimethyl-3-(2-nitroethenyl)indole
CID 77469691
CID 69129935
CID 69129935

Frequently Asked Questions

What is the IUPAC name of (E)-3-(6-methoxy-1,2-dimethylindol-3-yl)prop-2-enoic acid?
The IUPAC name of (E)-3-(6-methoxy-1,2-dimethylindol-3-yl)prop-2-enoic acid (CID 82497828) is (E)-3-(6-methoxy-1,2-dimethylindol-3-yl)prop-2-enoic acid.
What is the SMILES notation for (E)-3-(6-methoxy-1,2-dimethylindol-3-yl)prop-2-enoic acid?
The canonical SMILES for (E)-3-(6-methoxy-1,2-dimethylindol-3-yl)prop-2-enoic acid is COc1ccc2c(/C=C/C(=O)O)c(C)n(C)c2c1.
What is the InChIKey of (E)-3-(6-methoxy-1,2-dimethylindol-3-yl)prop-2-enoic acid?
The InChIKey is CUEIVTMDFQODSI-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H15NO3/c1-9-11(6-7-14(16)17)12-5-4-10(18-3)8-13(12)15(9)2/h4-8H,1-3H3,(H,16,17)/b7-6+.
What are the key properties of (E)-3-(6-methoxy-1,2-dimethylindol-3-yl)prop-2-enoic acid?
(E)-3-(6-methoxy-1,2-dimethylindol-3-yl)prop-2-enoic acid has a molecular weight of 245.28 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(6-methoxy-1,2-dimethylindol-3-yl)prop-2-enoic acid is sourced from PubChem (CID 82497828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).