ethyl 2-[(E)-2-phenylethenyl]-1H-pyrrolo[3,2-c]pyridine-3-carboxylate

C18H16N2O2 — CID 46867743

IUPACethyl 2-[(E)-2-phenylethenyl]-1H-pyrrolo[3,2-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(/C=C/c2ccccc2)[nH]c2ccncc12
InChIInChI=1S/C18H16N2O2/c1-2-22-18(21)17-14-12-19-11-10-15(14)20-16(17)9-8-13-6-4-3-5-7-13/h3-12,20H,2H2,1H3/b9-8+
InChIKeyOASMDKKJLSGVRI-CMDGGOBGSA-N
MW292.34 g/mol
LogP3.91
Rot. Bonds4

About ethyl 2-[(E)-2-phenylethenyl]-1H-pyrrolo[3,2-c]pyridine-3-carboxylate

ethyl 2-[(E)-2-phenylethenyl]-1H-pyrrolo[3,2-c]pyridine-3-carboxylate (PubChem CID 46867743) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is ethyl 2-[(E)-2-phenylethenyl]-1H-pyrrolo[3,2-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(E)-2-phenylethenyl]-1H-pyrrolo[3,2-c]pyridine-3-carboxylate
PubChem CID46867743
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Nameethyl 2-[(E)-2-phenylethenyl]-1H-pyrrolo[3,2-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(/C=C/c2ccccc2)[nH]c2ccncc12
InChIInChI=1S/C18H16N2O2/c1-2-22-18(21)17-14-12-19-11-10-15(14)20-16(17)9-8-13-6-4-3-5-7-13/h3-12,20H,2H2,1H3/b9-8+
InChIKeyOASMDKKJLSGVRI-CMDGGOBGSA-N
XLogP3.91
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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ethyl 2-[5-chloro-2-[(E)-4-phenylbut-3-en-2-yl]phenyl]-1H-indole-3-carboxylate
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CID 176987523
ethyl 2-acetyl-1H-indole-3-carboxylate
CID 71162213
ethyl 2-(4-ethoxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;bis(4-[(E)-2-phenylethenyl]-2-[4-[(E)-2-phenylethenyl]-2-pyridinyl]pyridine);ruthenium
CID 156734946

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(E)-2-phenylethenyl]-1H-pyrrolo[3,2-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[(E)-2-phenylethenyl]-1H-pyrrolo[3,2-c]pyridine-3-carboxylate (CID 46867743) is ethyl 2-[(E)-2-phenylethenyl]-1H-pyrrolo[3,2-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[(E)-2-phenylethenyl]-1H-pyrrolo[3,2-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[(E)-2-phenylethenyl]-1H-pyrrolo[3,2-c]pyridine-3-carboxylate is CCOC(=O)c1c(/C=C/c2ccccc2)[nH]c2ccncc12.
What is the InChIKey of ethyl 2-[(E)-2-phenylethenyl]-1H-pyrrolo[3,2-c]pyridine-3-carboxylate?
The InChIKey is OASMDKKJLSGVRI-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-2-22-18(21)17-14-12-19-11-10-15(14)20-16(17)9-8-13-6-4-3-5-7-13/h3-12,20H,2H2,1H3/b9-8+.
What are the key properties of ethyl 2-[(E)-2-phenylethenyl]-1H-pyrrolo[3,2-c]pyridine-3-carboxylate?
ethyl 2-[(E)-2-phenylethenyl]-1H-pyrrolo[3,2-c]pyridine-3-carboxylate has a molecular weight of 292.34 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(E)-2-phenylethenyl]-1H-pyrrolo[3,2-c]pyridine-3-carboxylate is sourced from PubChem (CID 46867743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).