(5E)-5-prop-2-enylidene-3-azabicyclo[4.1.0]hepta-1,3,6-triene

C9H7N — CID 156724059

IUPAC(5E)-5-prop-2-enylidene-3-azabicyclo[4.1.0]hepta-1,3,6-triene
SMILESC=C/C=c1/cncc2c1=C2
InChIInChI=1S/C9H7N/c1-2-3-7-5-10-6-8-4-9(7)8/h2-6H,1H2/b7-3-
InChIKeySZMOHQHRWYTSDL-CLTKARDFSA-N
MW129.16 g/mol
LogP0.19
Rot. Bonds1

About (5E)-5-prop-2-enylidene-3-azabicyclo[4.1.0]hepta-1,3,6-triene

(5E)-5-prop-2-enylidene-3-azabicyclo[4.1.0]hepta-1,3,6-triene (PubChem CID 156724059) has the molecular formula C9H7N and a molecular weight of 129.16 g/mol. Its IUPAC name is (5E)-5-prop-2-enylidene-3-azabicyclo[4.1.0]hepta-1,3,6-triene.

Molecular Properties

Compound Name(5E)-5-prop-2-enylidene-3-azabicyclo[4.1.0]hepta-1,3,6-triene
PubChem CID156724059
Molecular FormulaC9H7N
Molecular Weight129.16 g/mol
Exact Mass129.06
IUPAC Name(5E)-5-prop-2-enylidene-3-azabicyclo[4.1.0]hepta-1,3,6-triene
SMILESC=C/C=c1/cncc2c1=C2
InChIInChI=1S/C9H7N/c1-2-3-7-5-10-6-8-4-9(7)8/h2-6H,1H2/b7-3-
InChIKeySZMOHQHRWYTSDL-CLTKARDFSA-N
XLogP0.19
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-prop-2-enylidene-3-azabicyclo[4.1.0]hepta-1,3,6-triene?
The IUPAC name of (5E)-5-prop-2-enylidene-3-azabicyclo[4.1.0]hepta-1,3,6-triene (CID 156724059) is (5E)-5-prop-2-enylidene-3-azabicyclo[4.1.0]hepta-1,3,6-triene.
What is the SMILES notation for (5E)-5-prop-2-enylidene-3-azabicyclo[4.1.0]hepta-1,3,6-triene?
The canonical SMILES for (5E)-5-prop-2-enylidene-3-azabicyclo[4.1.0]hepta-1,3,6-triene is C=C/C=c1/cncc2c1=C2.
What is the InChIKey of (5E)-5-prop-2-enylidene-3-azabicyclo[4.1.0]hepta-1,3,6-triene?
The InChIKey is SZMOHQHRWYTSDL-CLTKARDFSA-N. The full InChI is InChI=1S/C9H7N/c1-2-3-7-5-10-6-8-4-9(7)8/h2-6H,1H2/b7-3-.
What are the key properties of (5E)-5-prop-2-enylidene-3-azabicyclo[4.1.0]hepta-1,3,6-triene?
(5E)-5-prop-2-enylidene-3-azabicyclo[4.1.0]hepta-1,3,6-triene has a molecular weight of 129.16 g/mol, XLogP of 0.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-prop-2-enylidene-3-azabicyclo[4.1.0]hepta-1,3,6-triene is sourced from PubChem (CID 156724059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).