1-(2-ethoxy-2-methyl-3-methylideneindol-1-yl)ethanone

C14H17NO2 — CID 10900477

IUPAC1-(2-ethoxy-2-methyl-3-methylideneindol-1-yl)ethanone
SMILESC=C1c2ccccc2N(C(C)=O)C1(C)OCC
InChIInChI=1S/C14H17NO2/c1-5-17-14(4)10(2)12-8-6-7-9-13(12)15(14)11(3)16/h6-9H,2,5H2,1,3-4H3
InChIKeyZHTZDRPDHLSQCG-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.82
Rot. Bonds2

About 1-(2-ethoxy-2-methyl-3-methylideneindol-1-yl)ethanone

1-(2-ethoxy-2-methyl-3-methylideneindol-1-yl)ethanone (PubChem CID 10900477) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 1-(2-ethoxy-2-methyl-3-methylideneindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-ethoxy-2-methyl-3-methylideneindol-1-yl)ethanone
PubChem CID10900477
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name1-(2-ethoxy-2-methyl-3-methylideneindol-1-yl)ethanone
SMILESC=C1c2ccccc2N(C(C)=O)C1(C)OCC
InChIInChI=1S/C14H17NO2/c1-5-17-14(4)10(2)12-8-6-7-9-13(12)15(14)11(3)16/h6-9H,2,5H2,1,3-4H3
InChIKeyZHTZDRPDHLSQCG-UHFFFAOYSA-N
XLogP2.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 2-hydroperoxy-2-methyl-3-methylideneindole-1-carboxylate
CID 10356140
1-(2,2,4-trimethylquinolin-1-yl)ethanone
CID 698299
1-acetyl-2-but-3-en-2-yl-2-methylindol-3-one
CID 10847818
1-[2,2-dimethyl-4-[(4-phenylpiperazin-1-yl)methyl]quinolin-1-yl]ethanone;hydrochloride
CID 132908906
2-ethoxy-2-methyl-1-(2-propanoylanilino)indol-3-one
CID 2834232
ethyl 3-methylidene-2-oxoindole-1-carboxylate
CID 141183586
(2R)-1-acetyl-2-benzyl-2-prop-2-enylindol-3-one
CID 122377580
ethyl 9-hydroxyfluorene-9-carboxylate
CID 139070715
1-(2,2-dimethyl-3H-indol-1-yl)ethanone
CID 22217727
(2R)-1-acetyl-2-(2-bromophenyl)-2-prop-2-enylindol-3-one
CID 122377588
ethyl 2-(1,3-dioxoinden-2-yl)acetate
CID 13130488
ethyl 1,3-dimethyl-2-methylideneindole-3-carboxylate
CID 22486115

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-2-methyl-3-methylideneindol-1-yl)ethanone?
The IUPAC name of 1-(2-ethoxy-2-methyl-3-methylideneindol-1-yl)ethanone (CID 10900477) is 1-(2-ethoxy-2-methyl-3-methylideneindol-1-yl)ethanone.
What is the SMILES notation for 1-(2-ethoxy-2-methyl-3-methylideneindol-1-yl)ethanone?
The canonical SMILES for 1-(2-ethoxy-2-methyl-3-methylideneindol-1-yl)ethanone is C=C1c2ccccc2N(C(C)=O)C1(C)OCC.
What is the InChIKey of 1-(2-ethoxy-2-methyl-3-methylideneindol-1-yl)ethanone?
The InChIKey is ZHTZDRPDHLSQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-5-17-14(4)10(2)12-8-6-7-9-13(12)15(14)11(3)16/h6-9H,2,5H2,1,3-4H3.
What are the key properties of 1-(2-ethoxy-2-methyl-3-methylideneindol-1-yl)ethanone?
1-(2-ethoxy-2-methyl-3-methylideneindol-1-yl)ethanone has a molecular weight of 231.29 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-2-methyl-3-methylideneindol-1-yl)ethanone is sourced from PubChem (CID 10900477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).