ethane;methyl 5-ethenyl-2-ethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate;molecular hydrogen

C15H22N2O2 — CID 145221746

IUPACethane;methyl 5-ethenyl-2-ethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate;molecular hydrogen
SMILESC=Cc1cnc2[nH]c(CC)c(C(=O)OC)c2c1.CC.[H][H]
InChIInChI=1S/C13H14N2O2.C2H6.H2/c1-4-8-6-9-11(13(16)17-3)10(5-2)15-12(9)14-7-8;1-2;/h4,6-7H,1,5H2,2-3H3,(H,14,15);1-2H3;1H
InChIKeyCUSYSOLHKNMVAY-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.83
Rot. Bonds3

About ethane;methyl 5-ethenyl-2-ethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate;molecular hydrogen

ethane;methyl 5-ethenyl-2-ethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate;molecular hydrogen (PubChem CID 145221746) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is ethane;methyl 5-ethenyl-2-ethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate;molecular hydrogen.

Molecular Properties

Compound Nameethane;methyl 5-ethenyl-2-ethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate;molecular hydrogen
PubChem CID145221746
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Nameethane;methyl 5-ethenyl-2-ethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate;molecular hydrogen
SMILESC=Cc1cnc2[nH]c(CC)c(C(=O)OC)c2c1.CC.[H][H]
InChIInChI=1S/C13H14N2O2.C2H6.H2/c1-4-8-6-9-11(13(16)17-3)10(5-2)15-12(9)14-7-8;1-2;/h4,6-7H,1,5H2,2-3H3,(H,14,15);1-2H3;1H
InChIKeyCUSYSOLHKNMVAY-UHFFFAOYSA-N
XLogP3.83
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-bromo-2-(2-methoxy-2-oxoethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
CID 91759074
acetyl 2-ethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
CID 150448759
methyl 3-ethenyl-5-ethylbenzoate
CID 118269406
methyl 7-ethyl-5-oxo-8H-imidazo[1,2-a]pyrimidine-6-carboxylate
CID 125426333
methyl 4-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 123135276
5-ethyl-4-methoxycarbonyl-3-methyl-1H-pyrrole-2-carboxylic acid
CID 2446824
ethyl 5-bromo-2-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
CID 91759072
methyl 3-ethyl-1H-pyrrolo[3,2-c]pyridine-6-carboxylate
CID 175290315
methyl 4-ethenyl-2-fluoro-6-methylbenzoate
CID 155482448
methyl 2-ethyl-4-methyl-5-[(4-methyl-2-pyridinyl)carbamoyl]-1H-pyrrole-3-carboxylate
CID 35029418
2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;methyl 2-bromo-1H-indole-3-carboxylate;methyl 2-ethenyl-1H-indole-3-carboxylate;methyl 2-ethyl-1H-indole-3-carboxylate
CID 158785534
methyl 5-ethenyl-2-methylbenzoate
CID 10702422

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 5-ethenyl-2-ethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate;molecular hydrogen?
The IUPAC name of ethane;methyl 5-ethenyl-2-ethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate;molecular hydrogen (CID 145221746) is ethane;methyl 5-ethenyl-2-ethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate;molecular hydrogen.
What is the SMILES notation for ethane;methyl 5-ethenyl-2-ethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate;molecular hydrogen?
The canonical SMILES for ethane;methyl 5-ethenyl-2-ethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate;molecular hydrogen is C=Cc1cnc2[nH]c(CC)c(C(=O)OC)c2c1.CC.[H][H].
What is the InChIKey of ethane;methyl 5-ethenyl-2-ethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate;molecular hydrogen?
The InChIKey is CUSYSOLHKNMVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2.C2H6.H2/c1-4-8-6-9-11(13(16)17-3)10(5-2)15-12(9)14-7-8;1-2;/h4,6-7H,1,5H2,2-3H3,(H,14,15);1-2H3;1H.
What are the key properties of ethane;methyl 5-ethenyl-2-ethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate;molecular hydrogen?
ethane;methyl 5-ethenyl-2-ethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate;molecular hydrogen has a molecular weight of 262.35 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 5-ethenyl-2-ethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate;molecular hydrogen is sourced from PubChem (CID 145221746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).