methyl 2-methoxy-5-(5-methoxy-1H-indol-2-yl)penta-2,4-dienoate

C16H17NO4 — CID 54063713

IUPACmethyl 2-methoxy-5-(5-methoxy-1H-indol-2-yl)penta-2,4-dienoate
SMILESCOC(=O)C(=CC=Cc1cc2cc(OC)ccc2[nH]1)OC
InChIInChI=1S/C16H17NO4/c1-19-13-7-8-14-11(10-13)9-12(17-14)5-4-6-15(20-2)16(18)21-3/h4-10,17H,1-3H3
InChIKeyMBMUDCZJMHMVGP-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.89
Rot. Bonds5

About methyl 2-methoxy-5-(5-methoxy-1H-indol-2-yl)penta-2,4-dienoate

methyl 2-methoxy-5-(5-methoxy-1H-indol-2-yl)penta-2,4-dienoate (PubChem CID 54063713) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is methyl 2-methoxy-5-(5-methoxy-1H-indol-2-yl)penta-2,4-dienoate.

Molecular Properties

Compound Namemethyl 2-methoxy-5-(5-methoxy-1H-indol-2-yl)penta-2,4-dienoate
PubChem CID54063713
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Namemethyl 2-methoxy-5-(5-methoxy-1H-indol-2-yl)penta-2,4-dienoate
SMILESCOC(=O)C(=CC=Cc1cc2cc(OC)ccc2[nH]1)OC
InChIInChI=1S/C16H17NO4/c1-19-13-7-8-14-11(10-13)9-12(17-14)5-4-6-15(20-2)16(18)21-3/h4-10,17H,1-3H3
InChIKeyMBMUDCZJMHMVGP-UHFFFAOYSA-N
XLogP2.89
TPSA60.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

methyl (2Z,4E)-5-(5,6-dichloro-1H-indol-2-yl)-2-methoxypenta-2,4-dienoate
CID 10806018
(2Z,4E)-5-(1H-indol-2-yl)-2-methoxypenta-2,4-dienoic acid
CID 19610387
ethyl (E)-3-(5-methoxy-1H-indol-2-yl)prop-2-enoate
CID 24741227
2-ethenyl-5-methoxy-1H-indole
CID 11844226
(2Z,4E)-5-(5,6-dichloro-1H-indol-2-yl)-2-methoxy-N-(5-methoxy-3-pyridinyl)penta-2,4-dienamide
CID 20795149
2-[(E)-2-(2-bromophenyl)ethenyl]-5-methoxy-1H-indole
CID 11843963
5-(5,6-dichloro-1H-indol-2-yl)-N-[1-(dimethylamino)-2,2-dimethylpropyl]-2-methoxy-N-methylpenta-2,4-dienamide
CID 173299060
5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide
CID 110847836
(2Z,4E)-5-(5,6-dichloro-1H-indol-2-yl)-N-(3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-yl)-2-methoxypenta-2,4-dienamide
CID 22397596
methyl (2E,4E)-5-(3-hydroxyphenyl)-2-methoxypenta-2,4-dienoate
CID 139785088
N-(aminomethylidene)-5-methoxy-1H-indole-2-carboxamide
CID 123205970
N,5-dimethoxy-N-methyl-1H-indole-2-carboxamide
CID 23003326

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-5-(5-methoxy-1H-indol-2-yl)penta-2,4-dienoate?
The IUPAC name of methyl 2-methoxy-5-(5-methoxy-1H-indol-2-yl)penta-2,4-dienoate (CID 54063713) is methyl 2-methoxy-5-(5-methoxy-1H-indol-2-yl)penta-2,4-dienoate.
What is the SMILES notation for methyl 2-methoxy-5-(5-methoxy-1H-indol-2-yl)penta-2,4-dienoate?
The canonical SMILES for methyl 2-methoxy-5-(5-methoxy-1H-indol-2-yl)penta-2,4-dienoate is COC(=O)C(=CC=Cc1cc2cc(OC)ccc2[nH]1)OC.
What is the InChIKey of methyl 2-methoxy-5-(5-methoxy-1H-indol-2-yl)penta-2,4-dienoate?
The InChIKey is MBMUDCZJMHMVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-19-13-7-8-14-11(10-13)9-12(17-14)5-4-6-15(20-2)16(18)21-3/h4-10,17H,1-3H3.
What are the key properties of methyl 2-methoxy-5-(5-methoxy-1H-indol-2-yl)penta-2,4-dienoate?
methyl 2-methoxy-5-(5-methoxy-1H-indol-2-yl)penta-2,4-dienoate has a molecular weight of 287.32 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-5-(5-methoxy-1H-indol-2-yl)penta-2,4-dienoate is sourced from PubChem (CID 54063713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).