methyl 1-(cyclohexylmethyl)-5-ethenylindole-3-carboxylate

C19H23NO2 — CID 172654676

IUPACmethyl 1-(cyclohexylmethyl)-5-ethenylindole-3-carboxylate
SMILESC=Cc1ccc2c(c1)c(C(=O)OC)cn2CC1CCCCC1
InChIInChI=1S/C19H23NO2/c1-3-14-9-10-18-16(11-14)17(19(21)22-2)13-20(18)12-15-7-5-4-6-8-15/h3,9-11,13,15H,1,4-8,12H2,2H3
InChIKeySDTJJBTWPSRPAY-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.65
Rot. Bonds4

About methyl 1-(cyclohexylmethyl)-5-ethenylindole-3-carboxylate

methyl 1-(cyclohexylmethyl)-5-ethenylindole-3-carboxylate (PubChem CID 172654676) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is methyl 1-(cyclohexylmethyl)-5-ethenylindole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(cyclohexylmethyl)-5-ethenylindole-3-carboxylate
PubChem CID172654676
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Namemethyl 1-(cyclohexylmethyl)-5-ethenylindole-3-carboxylate
SMILESC=Cc1ccc2c(c1)c(C(=O)OC)cn2CC1CCCCC1
InChIInChI=1S/C19H23NO2/c1-3-14-9-10-18-16(11-14)17(19(21)22-2)13-20(18)12-15-7-5-4-6-8-15/h3,9-11,13,15H,1,4-8,12H2,2H3
InChIKeySDTJJBTWPSRPAY-UHFFFAOYSA-N
XLogP4.65
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(cyclohexylmethyl)-5-ethenylindole-3-carboxylate?
The IUPAC name of methyl 1-(cyclohexylmethyl)-5-ethenylindole-3-carboxylate (CID 172654676) is methyl 1-(cyclohexylmethyl)-5-ethenylindole-3-carboxylate.
What is the SMILES notation for methyl 1-(cyclohexylmethyl)-5-ethenylindole-3-carboxylate?
The canonical SMILES for methyl 1-(cyclohexylmethyl)-5-ethenylindole-3-carboxylate is C=Cc1ccc2c(c1)c(C(=O)OC)cn2CC1CCCCC1.
What is the InChIKey of methyl 1-(cyclohexylmethyl)-5-ethenylindole-3-carboxylate?
The InChIKey is SDTJJBTWPSRPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-3-14-9-10-18-16(11-14)17(19(21)22-2)13-20(18)12-15-7-5-4-6-8-15/h3,9-11,13,15H,1,4-8,12H2,2H3.
What are the key properties of methyl 1-(cyclohexylmethyl)-5-ethenylindole-3-carboxylate?
methyl 1-(cyclohexylmethyl)-5-ethenylindole-3-carboxylate has a molecular weight of 297.40 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(cyclohexylmethyl)-5-ethenylindole-3-carboxylate is sourced from PubChem (CID 172654676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).