ethane;ethene;fluoro 5-methyl-1H-indole-2-carboxylate

C14H18FNO2 — CID 145277131

IUPACethane;ethene;fluoro 5-methyl-1H-indole-2-carboxylate
SMILESC=C.CC.Cc1ccc2[nH]c(C(=O)OF)cc2c1
InChIInChI=1S/C10H8FNO2.C2H6.C2H4/c1-6-2-3-8-7(4-6)5-9(12-8)10(13)14-11;2*1-2/h2-5,12H,1H3;1-2H3;1-2H2
InChIKeyXSGMEAPSUGRONW-UHFFFAOYSA-N
MW251.30 g/mol
LogP4.35
Rot. Bonds1

About ethane;ethene;fluoro 5-methyl-1H-indole-2-carboxylate

ethane;ethene;fluoro 5-methyl-1H-indole-2-carboxylate (PubChem CID 145277131) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is ethane;ethene;fluoro 5-methyl-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethane;ethene;fluoro 5-methyl-1H-indole-2-carboxylate
PubChem CID145277131
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Nameethane;ethene;fluoro 5-methyl-1H-indole-2-carboxylate
SMILESC=C.CC.Cc1ccc2[nH]c(C(=O)OF)cc2c1
InChIInChI=1S/C10H8FNO2.C2H6.C2H4/c1-6-2-3-8-7(4-6)5-9(12-8)10(13)14-11;2*1-2/h2-5,12H,1H3;1-2H3;1-2H2
InChIKeyXSGMEAPSUGRONW-UHFFFAOYSA-N
XLogP4.35
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(methylamino)-1-(5-methyl-1H-indol-2-yl)ethanone
CID 82397100
(5-methyl-1H-indol-2-yl)-(4-methylphenyl)methanone
CID 59088766
(2,5-dimethylphenyl)-(5-methyl-1H-indol-2-yl)methanone
CID 59088763
3-(5-methyl-1H-indol-2-yl)-3-oxopropanoic acid
CID 165356574
5-methyl-N-prop-2-enyl-1H-indole-2-carboxamide
CID 4011828
N-(2-hydroxyethyl)-5-methyl-1H-indole-2-carboxamide
CID 89488958
5-methyl-N-phenyl-1H-indole-2-carboxamide
CID 3254922
(5-methyl-1H-indol-2-yl)-morpholin-4-ylmethanone
CID 4210929
(5-hydroxy-1H-indol-2-yl)-(6-methyl-1H-indol-2-yl)methanone
CID 11666441
ethane;ethyl 1H-indole-2-carboxylate
CID 91376411
(3-aminooxy-5-hydroxyphenyl)-(5-methyl-1H-indol-2-yl)methanone
CID 91015515
N-[2-(4-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide
CID 36704078

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;fluoro 5-methyl-1H-indole-2-carboxylate?
The IUPAC name of ethane;ethene;fluoro 5-methyl-1H-indole-2-carboxylate (CID 145277131) is ethane;ethene;fluoro 5-methyl-1H-indole-2-carboxylate.
What is the SMILES notation for ethane;ethene;fluoro 5-methyl-1H-indole-2-carboxylate?
The canonical SMILES for ethane;ethene;fluoro 5-methyl-1H-indole-2-carboxylate is C=C.CC.Cc1ccc2[nH]c(C(=O)OF)cc2c1.
What is the InChIKey of ethane;ethene;fluoro 5-methyl-1H-indole-2-carboxylate?
The InChIKey is XSGMEAPSUGRONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO2.C2H6.C2H4/c1-6-2-3-8-7(4-6)5-9(12-8)10(13)14-11;2*1-2/h2-5,12H,1H3;1-2H3;1-2H2.
What are the key properties of ethane;ethene;fluoro 5-methyl-1H-indole-2-carboxylate?
ethane;ethene;fluoro 5-methyl-1H-indole-2-carboxylate has a molecular weight of 251.30 g/mol, XLogP of 4.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;fluoro 5-methyl-1H-indole-2-carboxylate is sourced from PubChem (CID 145277131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).