ethane;ethyl 1H-indole-2-carboxylate

C13H17NO2 — CID 91376411

IUPACethane;ethyl 1H-indole-2-carboxylate
SMILESCC.CCOC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C11H11NO2.C2H6/c1-2-14-11(13)10-7-8-5-3-4-6-9(8)12-10;1-2/h3-7,12H,2H2,1H3;1-2H3
InChIKeyNDEKCHUQJHOSTF-UHFFFAOYSA-N
MW219.28 g/mol
LogP3.37
Rot. Bonds2

About ethane;ethyl 1H-indole-2-carboxylate

ethane;ethyl 1H-indole-2-carboxylate (PubChem CID 91376411) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is ethane;ethyl 1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethane;ethyl 1H-indole-2-carboxylate
PubChem CID91376411
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Nameethane;ethyl 1H-indole-2-carboxylate
SMILESCC.CCOC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C11H11NO2.C2H6/c1-2-14-11(13)10-7-8-5-3-4-6-9(8)12-10;1-2/h3-7,12H,2H2,1H3;1-2H3
InChIKeyNDEKCHUQJHOSTF-UHFFFAOYSA-N
XLogP3.37
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

butyl 1H-indole-2-carboxylate
CID 54052397
[2-[di(propan-2-yl)amino]-2-oxoethyl] 1H-indole-2-carboxylate
CID 9451057
diethyl 1,7-dihydropyrrolo[3,2-f]indole-2,6-dicarboxylate
CID 12575837
ethyl 5-tert-butyl-1H-indole-2-carboxylate
CID 4714960
ethyl 7-methyl-1H-indole-2-carboxylate
CID 1235155
chloro 1H-indole-2-carboxylate
CID 68813525
diethyl 3,6-dihydropyrrolo[3,2-e]indole-2,7-dicarboxylate
CID 12643444
ethyl 1H-indole-2-carboxylate;1,2,3,4-tetrahydrochrysene
CID 174830027
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 1H-indole-2-carboxylate
CID 7466205
ethane;1H-indole-2-carboxylic acid
CID 91052830
(3,5-dimethylphenyl) 1H-indole-2-carboxylate
CID 150748218
2-nitroethyl 1H-indole-2-carboxylate
CID 142793675

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 1H-indole-2-carboxylate?
The IUPAC name of ethane;ethyl 1H-indole-2-carboxylate (CID 91376411) is ethane;ethyl 1H-indole-2-carboxylate.
What is the SMILES notation for ethane;ethyl 1H-indole-2-carboxylate?
The canonical SMILES for ethane;ethyl 1H-indole-2-carboxylate is CC.CCOC(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of ethane;ethyl 1H-indole-2-carboxylate?
The InChIKey is NDEKCHUQJHOSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2.C2H6/c1-2-14-11(13)10-7-8-5-3-4-6-9(8)12-10;1-2/h3-7,12H,2H2,1H3;1-2H3.
What are the key properties of ethane;ethyl 1H-indole-2-carboxylate?
ethane;ethyl 1H-indole-2-carboxylate has a molecular weight of 219.28 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 1H-indole-2-carboxylate is sourced from PubChem (CID 91376411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).