11-methylidene-2,5-diazabicyclo[4.4.1]undeca-1,5,7-triene

C10H12N2 — CID 91418540

IUPAC11-methylidene-2,5-diazabicyclo[4.4.1]undeca-1,5,7-triene
SMILESC=C1C2=NCCN=C1CCC=C2
InChIInChI=1S/C10H12N2/c1-8-9-4-2-3-5-10(8)12-7-6-11-9/h2,4H,1,3,5-7H2
InChIKeyPRILMMABCOFMLK-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.79
Rot. Bonds

About 11-methylidene-2,5-diazabicyclo[4.4.1]undeca-1,5,7-triene

11-methylidene-2,5-diazabicyclo[4.4.1]undeca-1,5,7-triene (PubChem CID 91418540) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 11-methylidene-2,5-diazabicyclo[4.4.1]undeca-1,5,7-triene.

Molecular Properties

Compound Name11-methylidene-2,5-diazabicyclo[4.4.1]undeca-1,5,7-triene
PubChem CID91418540
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name11-methylidene-2,5-diazabicyclo[4.4.1]undeca-1,5,7-triene
SMILESC=C1C2=NCCN=C1CCC=C2
InChIInChI=1S/C10H12N2/c1-8-9-4-2-3-5-10(8)12-7-6-11-9/h2,4H,1,3,5-7H2
InChIKeyPRILMMABCOFMLK-UHFFFAOYSA-N
XLogP1.79
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,5,8-Tetrahydroquinoline
CID 57204244
3,7,8,9-tetrahydro-2H-cyclohepta[b]pyrazine
CID 90787223
2-Azabicyclo[5.5.0]dodeca-1,3,6-triene
CID 156421378

Frequently Asked Questions

What is the IUPAC name of 11-methylidene-2,5-diazabicyclo[4.4.1]undeca-1,5,7-triene?
The IUPAC name of 11-methylidene-2,5-diazabicyclo[4.4.1]undeca-1,5,7-triene (CID 91418540) is 11-methylidene-2,5-diazabicyclo[4.4.1]undeca-1,5,7-triene.
What is the SMILES notation for 11-methylidene-2,5-diazabicyclo[4.4.1]undeca-1,5,7-triene?
The canonical SMILES for 11-methylidene-2,5-diazabicyclo[4.4.1]undeca-1,5,7-triene is C=C1C2=NCCN=C1CCC=C2.
What is the InChIKey of 11-methylidene-2,5-diazabicyclo[4.4.1]undeca-1,5,7-triene?
The InChIKey is PRILMMABCOFMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-8-9-4-2-3-5-10(8)12-7-6-11-9/h2,4H,1,3,5-7H2.
What are the key properties of 11-methylidene-2,5-diazabicyclo[4.4.1]undeca-1,5,7-triene?
11-methylidene-2,5-diazabicyclo[4.4.1]undeca-1,5,7-triene has a molecular weight of 160.22 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methylidene-2,5-diazabicyclo[4.4.1]undeca-1,5,7-triene is sourced from PubChem (CID 91418540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).