2-oxa-6-azabicyclo[3.1.0]hexa-1(5),3-diene

C4H3NO — CID 68860257

IUPAC2-oxa-6-azabicyclo[3.1.0]hexa-1(5),3-diene
SMILESc1cc2c(o1)N2
InChIInChI=1S/C4H3NO/c1-2-6-4-3(1)5-4/h1-2,5H
InChIKeyYAAXYCBELWIYKA-UHFFFAOYSA-N
MW81.07 g/mol
LogP1.34
Rot. Bonds

About 2-oxa-6-azabicyclo[3.1.0]hexa-1(5),3-diene

2-oxa-6-azabicyclo[3.1.0]hexa-1(5),3-diene (PubChem CID 68860257) has the molecular formula C4H3NO and a molecular weight of 81.07 g/mol. Its IUPAC name is 2-oxa-6-azabicyclo[3.1.0]hexa-1(5),3-diene.

Molecular Properties

Compound Name2-oxa-6-azabicyclo[3.1.0]hexa-1(5),3-diene
PubChem CID68860257
Molecular FormulaC4H3NO
Molecular Weight81.07 g/mol
Exact Mass81.02
IUPAC Name2-oxa-6-azabicyclo[3.1.0]hexa-1(5),3-diene
SMILESc1cc2c(o1)N2
InChIInChI=1S/C4H3NO/c1-2-6-4-3(1)5-4/h1-2,5H
InChIKeyYAAXYCBELWIYKA-UHFFFAOYSA-N
XLogP1.34
TPSA35.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50081.07
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

Furan-2,3-diamine
CID 21989049
N-methyl iminohydrofuran
CID 129822080
2-N-methylfuran-2,3-diamine
CID 20200448
1,2,3,4-Tetrahydrofuro[2,3-b]pyrazine
CID 67258053
N-(3-aminofuran-2-yl)acetamide
CID 150728552
Spiro[1,4-dihydrofuro[2,3-b]pyrazine-2,1'-cyclopropane]-3-one
CID 82375673
Spiro[1,4-dihydrofuro[2,3-b]pyrazine-3,1'-cyclopropane]-2-one
CID 82375674
2,4-dihydro-1H-furo[2,3-b]pyrazin-3-one
CID 92546454
3,4-dihydro-1H-furo[2,3-b]pyrazin-2-one
CID 92546464

Frequently Asked Questions

What is the IUPAC name of 2-oxa-6-azabicyclo[3.1.0]hexa-1(5),3-diene?
The IUPAC name of 2-oxa-6-azabicyclo[3.1.0]hexa-1(5),3-diene (CID 68860257) is 2-oxa-6-azabicyclo[3.1.0]hexa-1(5),3-diene.
What is the SMILES notation for 2-oxa-6-azabicyclo[3.1.0]hexa-1(5),3-diene?
The canonical SMILES for 2-oxa-6-azabicyclo[3.1.0]hexa-1(5),3-diene is c1cc2c(o1)N2.
What is the InChIKey of 2-oxa-6-azabicyclo[3.1.0]hexa-1(5),3-diene?
The InChIKey is YAAXYCBELWIYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NO/c1-2-6-4-3(1)5-4/h1-2,5H.
What are the key properties of 2-oxa-6-azabicyclo[3.1.0]hexa-1(5),3-diene?
2-oxa-6-azabicyclo[3.1.0]hexa-1(5),3-diene has a molecular weight of 81.07 g/mol, XLogP of 1.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxa-6-azabicyclo[3.1.0]hexa-1(5),3-diene is sourced from PubChem (CID 68860257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).