(4E)-7-ethylidene-1,6-dihydro-1,3-diazonine

C9H12N2 — CID 123502113

IUPAC(4E)-7-ethylidene-1,6-dihydro-1,3-diazonine
SMILESCC=C1C=CN/C=N\C=C\C1
InChIInChI=1S/C9H12N2/c1-2-9-4-3-6-10-8-11-7-5-9/h2-3,5-8H,4H2,1H3,(H,10,11)/b6-3+,7-5?,9-2?
InChIKeyCPUVVTYXPFKLRS-OJBXBMOVSA-N
MW148.21 g/mol
LogP1.98
Rot. Bonds

About (4E)-7-ethylidene-1,6-dihydro-1,3-diazonine

(4E)-7-ethylidene-1,6-dihydro-1,3-diazonine (PubChem CID 123502113) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is (4E)-7-ethylidene-1,6-dihydro-1,3-diazonine.

Molecular Properties

Compound Name(4E)-7-ethylidene-1,6-dihydro-1,3-diazonine
PubChem CID123502113
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name(4E)-7-ethylidene-1,6-dihydro-1,3-diazonine
SMILESCC=C1C=CN/C=N\C=C\C1
InChIInChI=1S/C9H12N2/c1-2-9-4-3-6-10-8-11-7-5-9/h2-3,5-8H,4H2,1H3,(H,10,11)/b6-3+,7-5?,9-2?
InChIKeyCPUVVTYXPFKLRS-OJBXBMOVSA-N
XLogP1.98
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (4E)-7-ethylidene-1,6-dihydro-1,3-diazonine?
The IUPAC name of (4E)-7-ethylidene-1,6-dihydro-1,3-diazonine (CID 123502113) is (4E)-7-ethylidene-1,6-dihydro-1,3-diazonine.
What is the SMILES notation for (4E)-7-ethylidene-1,6-dihydro-1,3-diazonine?
The canonical SMILES for (4E)-7-ethylidene-1,6-dihydro-1,3-diazonine is CC=C1C=CN/C=N\C=C\C1.
What is the InChIKey of (4E)-7-ethylidene-1,6-dihydro-1,3-diazonine?
The InChIKey is CPUVVTYXPFKLRS-OJBXBMOVSA-N. The full InChI is InChI=1S/C9H12N2/c1-2-9-4-3-6-10-8-11-7-5-9/h2-3,5-8H,4H2,1H3,(H,10,11)/b6-3+,7-5?,9-2?.
What are the key properties of (4E)-7-ethylidene-1,6-dihydro-1,3-diazonine?
(4E)-7-ethylidene-1,6-dihydro-1,3-diazonine has a molecular weight of 148.21 g/mol, XLogP of 1.98, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-7-ethylidene-1,6-dihydro-1,3-diazonine is sourced from PubChem (CID 123502113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).