methyl 2-(4-cyano-5-methoxy-2-methyl-1H-indol-3-yl)acetate

C14H14N2O3 — CID 46216285

IUPACmethyl 2-(4-cyano-5-methoxy-2-methyl-1H-indol-3-yl)acetate
SMILESCOC(=O)Cc1c(C)[nH]c2ccc(OC)c(C#N)c12
InChIInChI=1S/C14H14N2O3/c1-8-9(6-13(17)19-3)14-10(7-15)12(18-2)5-4-11(14)16-8/h4-5,16H,6H2,1-3H3
InChIKeyBMNQZIJXXLXSBW-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.07
Rot. Bonds3

About methyl 2-(4-cyano-5-methoxy-2-methyl-1H-indol-3-yl)acetate

methyl 2-(4-cyano-5-methoxy-2-methyl-1H-indol-3-yl)acetate (PubChem CID 46216285) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is methyl 2-(4-cyano-5-methoxy-2-methyl-1H-indol-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-cyano-5-methoxy-2-methyl-1H-indol-3-yl)acetate
PubChem CID46216285
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Namemethyl 2-(4-cyano-5-methoxy-2-methyl-1H-indol-3-yl)acetate
SMILESCOC(=O)Cc1c(C)[nH]c2ccc(OC)c(C#N)c12
InChIInChI=1S/C14H14N2O3/c1-8-9(6-13(17)19-3)14-10(7-15)12(18-2)5-4-11(14)16-8/h4-5,16H,6H2,1-3H3
InChIKeyBMNQZIJXXLXSBW-UHFFFAOYSA-N
XLogP2.07
TPSA75.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2-cyano-3-ethyl-4-methoxyphenyl)acetate
CID 134614048
(4-cyano-2-methoxyphenyl) 2-(5-fluoro-2-methyl-1H-indol-3-yl)acetate
CID 134005210
methyl 2-[2-(aminomethyl)-3-cyano-6-methoxyphenyl]acetate
CID 134640491
methyl 2-(6-bromo-2-cyano-3-nitrophenyl)acetate
CID 134635621
methyl 2-[3-cyano-2-(difluoromethoxy)-4-methoxyphenyl]acetate
CID 134635055
methyl 2-[2-[(dimethylamino)methyl]-4-fluoro-5-methoxy-1H-indol-3-yl]acetate
CID 58443435
2-[5-methoxy-2-methyl-4-(2,4,6-trichlorobenzoyl)-1H-indol-3-yl]acetic acid
CID 19919980
methyl 2-(2,6-dimethyl-1H-indol-3-yl)acetate
CID 54107367
3-cyano-2-ethyl-4-methoxybenzoic acid
CID 131530269
methyl 2-(5-ethoxy-2,6-dimethyl-1H-indol-3-yl)acetate
CID 91226592
methyl 2-(2-methyl-1H-pyrrolo[3,2-c]pyridin-3-yl)acetate
CID 69181166
2-(chloromethyl)-3-cyano-4-methoxybenzoic acid
CID 131608616

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-cyano-5-methoxy-2-methyl-1H-indol-3-yl)acetate?
The IUPAC name of methyl 2-(4-cyano-5-methoxy-2-methyl-1H-indol-3-yl)acetate (CID 46216285) is methyl 2-(4-cyano-5-methoxy-2-methyl-1H-indol-3-yl)acetate.
What is the SMILES notation for methyl 2-(4-cyano-5-methoxy-2-methyl-1H-indol-3-yl)acetate?
The canonical SMILES for methyl 2-(4-cyano-5-methoxy-2-methyl-1H-indol-3-yl)acetate is COC(=O)Cc1c(C)[nH]c2ccc(OC)c(C#N)c12.
What is the InChIKey of methyl 2-(4-cyano-5-methoxy-2-methyl-1H-indol-3-yl)acetate?
The InChIKey is BMNQZIJXXLXSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-8-9(6-13(17)19-3)14-10(7-15)12(18-2)5-4-11(14)16-8/h4-5,16H,6H2,1-3H3.
What are the key properties of methyl 2-(4-cyano-5-methoxy-2-methyl-1H-indol-3-yl)acetate?
methyl 2-(4-cyano-5-methoxy-2-methyl-1H-indol-3-yl)acetate has a molecular weight of 258.28 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-cyano-5-methoxy-2-methyl-1H-indol-3-yl)acetate is sourced from PubChem (CID 46216285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).