methyl 1-(pyridin-2-ylmethyl)-[1]benzofuro[3,2-b]pyrrole-2-carboxylate

C18H14N2O3 — CID 3238867

IUPACmethyl 1-(pyridin-2-ylmethyl)-[1]benzofuro[3,2-b]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc2oc3ccccc3c2n1Cc1ccccn1
InChIInChI=1S/C18H14N2O3/c1-22-18(21)14-10-16-17(13-7-2-3-8-15(13)23-16)20(14)11-12-6-4-5-9-19-12/h2-10H,11H2,1H3
InChIKeyJWOJFGMVSKTHOB-UHFFFAOYSA-N
MW306.32 g/mol
LogP3.62
Rot. Bonds3

About methyl 1-(pyridin-2-ylmethyl)-[1]benzofuro[3,2-b]pyrrole-2-carboxylate

methyl 1-(pyridin-2-ylmethyl)-[1]benzofuro[3,2-b]pyrrole-2-carboxylate (PubChem CID 3238867) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is methyl 1-(pyridin-2-ylmethyl)-[1]benzofuro[3,2-b]pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(pyridin-2-ylmethyl)-[1]benzofuro[3,2-b]pyrrole-2-carboxylate
PubChem CID3238867
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Namemethyl 1-(pyridin-2-ylmethyl)-[1]benzofuro[3,2-b]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc2oc3ccccc3c2n1Cc1ccccn1
InChIInChI=1S/C18H14N2O3/c1-22-18(21)14-10-16-17(13-7-2-3-8-15(13)23-16)20(14)11-12-6-4-5-9-19-12/h2-10H,11H2,1H3
InChIKeyJWOJFGMVSKTHOB-UHFFFAOYSA-N
XLogP3.62
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(pyridin-2-ylmethyl)-[1]benzofuro[3,2-b]pyrrole-2-carboxylate?
The IUPAC name of methyl 1-(pyridin-2-ylmethyl)-[1]benzofuro[3,2-b]pyrrole-2-carboxylate (CID 3238867) is methyl 1-(pyridin-2-ylmethyl)-[1]benzofuro[3,2-b]pyrrole-2-carboxylate.
What is the SMILES notation for methyl 1-(pyridin-2-ylmethyl)-[1]benzofuro[3,2-b]pyrrole-2-carboxylate?
The canonical SMILES for methyl 1-(pyridin-2-ylmethyl)-[1]benzofuro[3,2-b]pyrrole-2-carboxylate is COC(=O)c1cc2oc3ccccc3c2n1Cc1ccccn1.
What is the InChIKey of methyl 1-(pyridin-2-ylmethyl)-[1]benzofuro[3,2-b]pyrrole-2-carboxylate?
The InChIKey is JWOJFGMVSKTHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c1-22-18(21)14-10-16-17(13-7-2-3-8-15(13)23-16)20(14)11-12-6-4-5-9-19-12/h2-10H,11H2,1H3.
What are the key properties of methyl 1-(pyridin-2-ylmethyl)-[1]benzofuro[3,2-b]pyrrole-2-carboxylate?
methyl 1-(pyridin-2-ylmethyl)-[1]benzofuro[3,2-b]pyrrole-2-carboxylate has a molecular weight of 306.32 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(pyridin-2-ylmethyl)-[1]benzofuro[3,2-b]pyrrole-2-carboxylate is sourced from PubChem (CID 3238867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).