(4-oxopyran-3-yl) 4H-furo[3,2-b]pyrrole-5-carboxylate

C12H7NO5 — CID 175517065

IUPAC(4-oxopyran-3-yl) 4H-furo[3,2-b]pyrrole-5-carboxylate
SMILESO=C(Oc1coccc1=O)c1cc2occc2[nH]1
InChIInChI=1S/C12H7NO5/c14-9-2-3-16-6-11(9)18-12(15)8-5-10-7(13-8)1-4-17-10/h1-6,13H
InChIKeyCHTJEKLDPPUSSN-UHFFFAOYSA-N
MW245.19 g/mol
LogP1.93
Rot. Bonds2

About (4-oxopyran-3-yl) 4H-furo[3,2-b]pyrrole-5-carboxylate

(4-oxopyran-3-yl) 4H-furo[3,2-b]pyrrole-5-carboxylate (PubChem CID 175517065) has the molecular formula C12H7NO5 and a molecular weight of 245.19 g/mol. Its IUPAC name is (4-oxopyran-3-yl) 4H-furo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Name(4-oxopyran-3-yl) 4H-furo[3,2-b]pyrrole-5-carboxylate
PubChem CID175517065
Molecular FormulaC12H7NO5
Molecular Weight245.19 g/mol
Exact Mass245.03
IUPAC Name(4-oxopyran-3-yl) 4H-furo[3,2-b]pyrrole-5-carboxylate
SMILESO=C(Oc1coccc1=O)c1cc2occc2[nH]1
InChIInChI=1S/C12H7NO5/c14-9-2-3-16-6-11(9)18-12(15)8-5-10-7(13-8)1-4-17-10/h1-6,13H
InChIKeyCHTJEKLDPPUSSN-UHFFFAOYSA-N
XLogP1.93
TPSA85.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.19
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-oxopyran-3-yl) 4H-furo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of (4-oxopyran-3-yl) 4H-furo[3,2-b]pyrrole-5-carboxylate (CID 175517065) is (4-oxopyran-3-yl) 4H-furo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for (4-oxopyran-3-yl) 4H-furo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for (4-oxopyran-3-yl) 4H-furo[3,2-b]pyrrole-5-carboxylate is O=C(Oc1coccc1=O)c1cc2occc2[nH]1.
What is the InChIKey of (4-oxopyran-3-yl) 4H-furo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is CHTJEKLDPPUSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7NO5/c14-9-2-3-16-6-11(9)18-12(15)8-5-10-7(13-8)1-4-17-10/h1-6,13H.
What are the key properties of (4-oxopyran-3-yl) 4H-furo[3,2-b]pyrrole-5-carboxylate?
(4-oxopyran-3-yl) 4H-furo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 245.19 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxopyran-3-yl) 4H-furo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 175517065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).