(2-methylidene-1-azabicyclo[2.2.2]octan-3-yl) 1H-indole-3-carboxylate

C17H18N2O2 — CID 15132444

IUPAC(2-methylidene-1-azabicyclo[2.2.2]octan-3-yl) 1H-indole-3-carboxylate
SMILESC=C1C(OC(=O)c2c[nH]c3ccccc23)C2CCN1CC2
InChIInChI=1S/C17H18N2O2/c1-11-16(12-6-8-19(11)9-7-12)21-17(20)14-10-18-15-5-3-2-4-13(14)15/h2-5,10,12,16,18H,1,6-9H2
InChIKeyGSNOASNQIWYLQL-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.93
Rot. Bonds2

About (2-methylidene-1-azabicyclo[2.2.2]octan-3-yl) 1H-indole-3-carboxylate

(2-methylidene-1-azabicyclo[2.2.2]octan-3-yl) 1H-indole-3-carboxylate (PubChem CID 15132444) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is (2-methylidene-1-azabicyclo[2.2.2]octan-3-yl) 1H-indole-3-carboxylate.

Molecular Properties

Compound Name(2-methylidene-1-azabicyclo[2.2.2]octan-3-yl) 1H-indole-3-carboxylate
PubChem CID15132444
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name(2-methylidene-1-azabicyclo[2.2.2]octan-3-yl) 1H-indole-3-carboxylate
SMILESC=C1C(OC(=O)c2c[nH]c3ccccc23)C2CCN1CC2
InChIInChI=1S/C17H18N2O2/c1-11-16(12-6-8-19(11)9-7-12)21-17(20)14-10-18-15-5-3-2-4-13(14)15/h2-5,10,12,16,18H,1,6-9H2
InChIKeyGSNOASNQIWYLQL-UHFFFAOYSA-N
XLogP2.93
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-azatricyclo[3.3.1.13,7]decan-4-yl 1H-indole-3-carboxylate
CID 25050290
[(3S,7R,10R)-10-hydroxy-8-azatricyclo[5.3.1.03,8]undecan-5-yl] 1H-indole-3-carboxylate
CID 91617591
(1-phenylmethoxycarbonylpyrrolidin-2-yl) 1H-indole-3-carboxylate
CID 22386155
methanesulfonic acid;[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate
CID 57330916
[8-(1,1-dideuterioethyl)-8-azabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate
CID 89080474
[(1R,5S,6R)-8-methyl-8-azabicyclo[3.2.1]octan-6-yl] 1H-indole-3-carboxylate
CID 23376538
1-(4-methylpiperidin-1-yl)propan-2-yl 1H-indole-3-carboxylate
CID 54474545
cyclopropyl(1H-indol-3-yl)methanone
CID 965839
ethane;methyl 1H-indole-3-carboxylate
CID 143850313
[(5S)-10-oxo-12-azatricyclo[7.3.0.03,12]dodecan-5-yl] 1H-indole-3-carboxylate
CID 70314846
ethyl 1H-indole-3-carboxylate;hydrate;hydrochloride
CID 141063038
methyl 2-(1H-indol-3-yl)prop-2-enoate
CID 116843224

Frequently Asked Questions

What is the IUPAC name of (2-methylidene-1-azabicyclo[2.2.2]octan-3-yl) 1H-indole-3-carboxylate?
The IUPAC name of (2-methylidene-1-azabicyclo[2.2.2]octan-3-yl) 1H-indole-3-carboxylate (CID 15132444) is (2-methylidene-1-azabicyclo[2.2.2]octan-3-yl) 1H-indole-3-carboxylate.
What is the SMILES notation for (2-methylidene-1-azabicyclo[2.2.2]octan-3-yl) 1H-indole-3-carboxylate?
The canonical SMILES for (2-methylidene-1-azabicyclo[2.2.2]octan-3-yl) 1H-indole-3-carboxylate is C=C1C(OC(=O)c2c[nH]c3ccccc23)C2CCN1CC2.
What is the InChIKey of (2-methylidene-1-azabicyclo[2.2.2]octan-3-yl) 1H-indole-3-carboxylate?
The InChIKey is GSNOASNQIWYLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-11-16(12-6-8-19(11)9-7-12)21-17(20)14-10-18-15-5-3-2-4-13(14)15/h2-5,10,12,16,18H,1,6-9H2.
What are the key properties of (2-methylidene-1-azabicyclo[2.2.2]octan-3-yl) 1H-indole-3-carboxylate?
(2-methylidene-1-azabicyclo[2.2.2]octan-3-yl) 1H-indole-3-carboxylate has a molecular weight of 282.34 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylidene-1-azabicyclo[2.2.2]octan-3-yl) 1H-indole-3-carboxylate is sourced from PubChem (CID 15132444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).