methyl 4-phenacylfuro[3,2-b]pyrrole-5-carboxylate

C16H13NO4 — CID 20885581

IUPACmethyl 4-phenacylfuro[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2occc2n1CC(=O)c1ccccc1
InChIInChI=1S/C16H13NO4/c1-20-16(19)13-9-15-12(7-8-21-15)17(13)10-14(18)11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKeyYOOCCMKMNTXLIK-UHFFFAOYSA-N
MW283.28 g/mol
LogP2.90
Rot. Bonds4

About methyl 4-phenacylfuro[3,2-b]pyrrole-5-carboxylate

methyl 4-phenacylfuro[3,2-b]pyrrole-5-carboxylate (PubChem CID 20885581) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is methyl 4-phenacylfuro[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-phenacylfuro[3,2-b]pyrrole-5-carboxylate
PubChem CID20885581
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Namemethyl 4-phenacylfuro[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2occc2n1CC(=O)c1ccccc1
InChIInChI=1S/C16H13NO4/c1-20-16(19)13-9-15-12(7-8-21-15)17(13)10-14(18)11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKeyYOOCCMKMNTXLIK-UHFFFAOYSA-N
XLogP2.90
TPSA61.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-phenacylfuro[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of methyl 4-phenacylfuro[3,2-b]pyrrole-5-carboxylate (CID 20885581) is methyl 4-phenacylfuro[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for methyl 4-phenacylfuro[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for methyl 4-phenacylfuro[3,2-b]pyrrole-5-carboxylate is COC(=O)c1cc2occc2n1CC(=O)c1ccccc1.
What is the InChIKey of methyl 4-phenacylfuro[3,2-b]pyrrole-5-carboxylate?
The InChIKey is YOOCCMKMNTXLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c1-20-16(19)13-9-15-12(7-8-21-15)17(13)10-14(18)11-5-3-2-4-6-11/h2-9H,10H2,1H3.
What are the key properties of methyl 4-phenacylfuro[3,2-b]pyrrole-5-carboxylate?
methyl 4-phenacylfuro[3,2-b]pyrrole-5-carboxylate has a molecular weight of 283.28 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-phenacylfuro[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 20885581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).