ethane;methyl 1H-indole-3-carboxylate

C12H15NO2 — CID 143850313

IUPACethane;methyl 1H-indole-3-carboxylate
SMILESCC.COC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C10H9NO2.C2H6/c1-13-10(12)8-6-11-9-5-3-2-4-7(8)9;1-2/h2-6,11H,1H3;1-2H3
InChIKeyMUGKZDWNFFCMRU-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.98
Rot. Bonds1

About ethane;methyl 1H-indole-3-carboxylate

ethane;methyl 1H-indole-3-carboxylate (PubChem CID 143850313) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is ethane;methyl 1H-indole-3-carboxylate.

Molecular Properties

Compound Nameethane;methyl 1H-indole-3-carboxylate
PubChem CID143850313
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Nameethane;methyl 1H-indole-3-carboxylate
SMILESCC.COC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C10H9NO2.C2H6/c1-13-10(12)8-6-11-9-5-3-2-4-7(8)9;1-2/h2-6,11H,1H3;1-2H3
InChIKeyMUGKZDWNFFCMRU-UHFFFAOYSA-N
XLogP2.98
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-(1H-indole-3-carbonyl)benzoate
CID 139561809
methyl 2-(1H-indol-3-yl)benzoate
CID 67678189
methyl 4-[(1H-indole-3-carbonylamino)carbamoyl]benzoate
CID 30455774
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 1H-indole-3-carboxylate
CID 7492820
methyl 3-(1H-indole-3-carbonyl)pyridine-4-carboxylate
CID 11737569
ethyl 1H-indole-3-carboxylate;hydrate;hydrochloride
CID 141063038
methyl 2-(1H-indol-3-yl)prop-2-enoate
CID 116843224
ethane;1-(1H-indol-3-yl)propane-1,2-dione
CID 90885148
methyl 6-(1H-indole-3-carbonyl)pyrimidine-4-carboxylate
CID 148584588
1H-indol-3-yl 1H-indole-3-carboxylate
CID 90824534
methyl 5-(1H-indole-3-carbonyl)pyridine-2-carboxylate
CID 139570456
[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 7492809

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 1H-indole-3-carboxylate?
The IUPAC name of ethane;methyl 1H-indole-3-carboxylate (CID 143850313) is ethane;methyl 1H-indole-3-carboxylate.
What is the SMILES notation for ethane;methyl 1H-indole-3-carboxylate?
The canonical SMILES for ethane;methyl 1H-indole-3-carboxylate is CC.COC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of ethane;methyl 1H-indole-3-carboxylate?
The InChIKey is MUGKZDWNFFCMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2.C2H6/c1-13-10(12)8-6-11-9-5-3-2-4-7(8)9;1-2/h2-6,11H,1H3;1-2H3.
What are the key properties of ethane;methyl 1H-indole-3-carboxylate?
ethane;methyl 1H-indole-3-carboxylate has a molecular weight of 205.26 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 1H-indole-3-carboxylate is sourced from PubChem (CID 143850313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).