2-(furan-2-yl)-6-oxa-8-azabicyclo[3.2.1]oct-5(8)-en-7-one

C10H9NO3 — CID 54557436

IUPAC2-(furan-2-yl)-6-oxa-8-azabicyclo[3.2.1]oct-5(8)-en-7-one
SMILESO=C1OC2=NC1C(c1ccco1)CC2
InChIInChI=1S/C10H9NO3/c12-10-9-6(7-2-1-5-13-7)3-4-8(11-9)14-10/h1-2,5-6,9H,3-4H2
InChIKeyZODPCVKKUGKJTN-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.48
Rot. Bonds1

About 2-(furan-2-yl)-6-oxa-8-azabicyclo[3.2.1]oct-5(8)-en-7-one

2-(furan-2-yl)-6-oxa-8-azabicyclo[3.2.1]oct-5(8)-en-7-one (PubChem CID 54557436) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 2-(furan-2-yl)-6-oxa-8-azabicyclo[3.2.1]oct-5(8)-en-7-one.

Molecular Properties

Compound Name2-(furan-2-yl)-6-oxa-8-azabicyclo[3.2.1]oct-5(8)-en-7-one
PubChem CID54557436
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name2-(furan-2-yl)-6-oxa-8-azabicyclo[3.2.1]oct-5(8)-en-7-one
SMILESO=C1OC2=NC1C(c1ccco1)CC2
InChIInChI=1S/C10H9NO3/c12-10-9-6(7-2-1-5-13-7)3-4-8(11-9)14-10/h1-2,5-6,9H,3-4H2
InChIKeyZODPCVKKUGKJTN-UHFFFAOYSA-N
XLogP1.48
TPSA51.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 29079255
2-(furan-2-yl)-N-methylcyclopentan-1-amine
CID 63950398
3-amino-4-(furan-2-yl)azetidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-6-oxa-8-azabicyclo[3.2.1]oct-5(8)-en-7-one?
The IUPAC name of 2-(furan-2-yl)-6-oxa-8-azabicyclo[3.2.1]oct-5(8)-en-7-one (CID 54557436) is 2-(furan-2-yl)-6-oxa-8-azabicyclo[3.2.1]oct-5(8)-en-7-one.
What is the SMILES notation for 2-(furan-2-yl)-6-oxa-8-azabicyclo[3.2.1]oct-5(8)-en-7-one?
The canonical SMILES for 2-(furan-2-yl)-6-oxa-8-azabicyclo[3.2.1]oct-5(8)-en-7-one is O=C1OC2=NC1C(c1ccco1)CC2.
What is the InChIKey of 2-(furan-2-yl)-6-oxa-8-azabicyclo[3.2.1]oct-5(8)-en-7-one?
The InChIKey is ZODPCVKKUGKJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c12-10-9-6(7-2-1-5-13-7)3-4-8(11-9)14-10/h1-2,5-6,9H,3-4H2.
What are the key properties of 2-(furan-2-yl)-6-oxa-8-azabicyclo[3.2.1]oct-5(8)-en-7-one?
2-(furan-2-yl)-6-oxa-8-azabicyclo[3.2.1]oct-5(8)-en-7-one has a molecular weight of 191.19 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-6-oxa-8-azabicyclo[3.2.1]oct-5(8)-en-7-one is sourced from PubChem (CID 54557436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).