5-[(Z)-but-2-en-2-yl]-2-oxa-5-azabicyclo[4.1.0]hepta-1(7),6-diene

C9H11NO — CID 89468835

IUPAC5-[(Z)-but-2-en-2-yl]-2-oxa-5-azabicyclo[4.1.0]hepta-1(7),6-diene
SMILESC/C=C(/C)N1CCOC2=C=C21
InChIInChI=1S/C9H11NO/c1-3-7(2)10-4-5-11-9-6-8(9)10/h3H,4-5H2,1-2H3/b7-3-
InChIKeyZIFJJYCECOZGHH-CLTKARDFSA-N
MW149.19 g/mol
LogP1.62
Rot. Bonds1

About 5-[(Z)-but-2-en-2-yl]-2-oxa-5-azabicyclo[4.1.0]hepta-1(7),6-diene

5-[(Z)-but-2-en-2-yl]-2-oxa-5-azabicyclo[4.1.0]hepta-1(7),6-diene (PubChem CID 89468835) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 5-[(Z)-but-2-en-2-yl]-2-oxa-5-azabicyclo[4.1.0]hepta-1(7),6-diene.

Molecular Properties

Compound Name5-[(Z)-but-2-en-2-yl]-2-oxa-5-azabicyclo[4.1.0]hepta-1(7),6-diene
PubChem CID89468835
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name5-[(Z)-but-2-en-2-yl]-2-oxa-5-azabicyclo[4.1.0]hepta-1(7),6-diene
SMILESC/C=C(/C)N1CCOC2=C=C21
InChIInChI=1S/C9H11NO/c1-3-7(2)10-4-5-11-9-6-8(9)10/h3H,4-5H2,1-2H3/b7-3-
InChIKeyZIFJJYCECOZGHH-CLTKARDFSA-N
XLogP1.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-but-2-en-2-yl]-2-oxa-5-azabicyclo[4.1.0]hepta-1(7),6-diene?
The IUPAC name of 5-[(Z)-but-2-en-2-yl]-2-oxa-5-azabicyclo[4.1.0]hepta-1(7),6-diene (CID 89468835) is 5-[(Z)-but-2-en-2-yl]-2-oxa-5-azabicyclo[4.1.0]hepta-1(7),6-diene.
What is the SMILES notation for 5-[(Z)-but-2-en-2-yl]-2-oxa-5-azabicyclo[4.1.0]hepta-1(7),6-diene?
The canonical SMILES for 5-[(Z)-but-2-en-2-yl]-2-oxa-5-azabicyclo[4.1.0]hepta-1(7),6-diene is C/C=C(/C)N1CCOC2=C=C21.
What is the InChIKey of 5-[(Z)-but-2-en-2-yl]-2-oxa-5-azabicyclo[4.1.0]hepta-1(7),6-diene?
The InChIKey is ZIFJJYCECOZGHH-CLTKARDFSA-N. The full InChI is InChI=1S/C9H11NO/c1-3-7(2)10-4-5-11-9-6-8(9)10/h3H,4-5H2,1-2H3/b7-3-.
What are the key properties of 5-[(Z)-but-2-en-2-yl]-2-oxa-5-azabicyclo[4.1.0]hepta-1(7),6-diene?
5-[(Z)-but-2-en-2-yl]-2-oxa-5-azabicyclo[4.1.0]hepta-1(7),6-diene has a molecular weight of 149.19 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-but-2-en-2-yl]-2-oxa-5-azabicyclo[4.1.0]hepta-1(7),6-diene is sourced from PubChem (CID 89468835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).