methyl 1,3,3-trimethyl-2-methylideneindole-5-carboxylate

C14H17NO2 — CID 15145785

IUPACmethyl 1,3,3-trimethyl-2-methylideneindole-5-carboxylate
SMILESC=C1N(C)c2ccc(C(=O)OC)cc2C1(C)C
InChIInChI=1S/C14H17NO2/c1-9-14(2,3)11-8-10(13(16)17-5)6-7-12(11)15(9)4/h6-8H,1H2,2-5H3
InChIKeyCVHDZBBLDJRKOS-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.71
Rot. Bonds1

About methyl 1,3,3-trimethyl-2-methylideneindole-5-carboxylate

methyl 1,3,3-trimethyl-2-methylideneindole-5-carboxylate (PubChem CID 15145785) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is methyl 1,3,3-trimethyl-2-methylideneindole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1,3,3-trimethyl-2-methylideneindole-5-carboxylate
PubChem CID15145785
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Namemethyl 1,3,3-trimethyl-2-methylideneindole-5-carboxylate
SMILESC=C1N(C)c2ccc(C(=O)OC)cc2C1(C)C
InChIInChI=1S/C14H17NO2/c1-9-14(2,3)11-8-10(13(16)17-5)6-7-12(11)15(9)4/h6-8H,1H2,2-5H3
InChIKeyCVHDZBBLDJRKOS-UHFFFAOYSA-N
XLogP2.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Methyl 4-dimethylaminobenzoate
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Ethyl 4-(diethylamino)benzoate
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methyl 2,3-dihydro-1H-indole-5-carboxylate
CID 21782110
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Methyl 4-(5,6-dimethyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoate
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Frequently Asked Questions

What is the IUPAC name of methyl 1,3,3-trimethyl-2-methylideneindole-5-carboxylate?
The IUPAC name of methyl 1,3,3-trimethyl-2-methylideneindole-5-carboxylate (CID 15145785) is methyl 1,3,3-trimethyl-2-methylideneindole-5-carboxylate.
What is the SMILES notation for methyl 1,3,3-trimethyl-2-methylideneindole-5-carboxylate?
The canonical SMILES for methyl 1,3,3-trimethyl-2-methylideneindole-5-carboxylate is C=C1N(C)c2ccc(C(=O)OC)cc2C1(C)C.
What is the InChIKey of methyl 1,3,3-trimethyl-2-methylideneindole-5-carboxylate?
The InChIKey is CVHDZBBLDJRKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-9-14(2,3)11-8-10(13(16)17-5)6-7-12(11)15(9)4/h6-8H,1H2,2-5H3.
What are the key properties of methyl 1,3,3-trimethyl-2-methylideneindole-5-carboxylate?
methyl 1,3,3-trimethyl-2-methylideneindole-5-carboxylate has a molecular weight of 231.29 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,3,3-trimethyl-2-methylideneindole-5-carboxylate is sourced from PubChem (CID 15145785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).