(4E)-2-methyl-1,6-dihydro-1,3-diazocine

C7H10N2 — CID 123209048

IUPAC(4E)-2-methyl-1,6-dihydro-1,3-diazocine
SMILESC/C1=N/C=C\CC=CN1
InChIInChI=1S/C7H10N2/c1-7-8-5-3-2-4-6-9-7/h3-6H,2H2,1H3,(H,8,9)/b5-3-,6-4?
InChIKeyUWMCTANLOOARGN-COQNZLLUSA-N
MW122.17 g/mol
LogP1.43
Rot. Bonds

About (4E)-2-methyl-1,6-dihydro-1,3-diazocine

(4E)-2-methyl-1,6-dihydro-1,3-diazocine (PubChem CID 123209048) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is (4E)-2-methyl-1,6-dihydro-1,3-diazocine.

Molecular Properties

Compound Name(4E)-2-methyl-1,6-dihydro-1,3-diazocine
PubChem CID123209048
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name(4E)-2-methyl-1,6-dihydro-1,3-diazocine
SMILESC/C1=N/C=C\CC=CN1
InChIInChI=1S/C7H10N2/c1-7-8-5-3-2-4-6-9-7/h3-6H,2H2,1H3,(H,8,9)/b5-3-,6-4?
InChIKeyUWMCTANLOOARGN-COQNZLLUSA-N
XLogP1.43
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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cyclopropene
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7-(1,2,3,6-tetrahydropyridin-5-yl)-4H-azepine
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ethane;N-methylacetamide;2-methyl-3H-pyrrole
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2-(2,4-dimethylcyclohexa-1,3-dien-1-yl)-3,4-dihydropyridine
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cyclopenta-1,3-diene;ethane;toluene
CID 90880714
cyclohexa-1,4-diene
CID 12343

Frequently Asked Questions

What is the IUPAC name of (4E)-2-methyl-1,6-dihydro-1,3-diazocine?
The IUPAC name of (4E)-2-methyl-1,6-dihydro-1,3-diazocine (CID 123209048) is (4E)-2-methyl-1,6-dihydro-1,3-diazocine.
What is the SMILES notation for (4E)-2-methyl-1,6-dihydro-1,3-diazocine?
The canonical SMILES for (4E)-2-methyl-1,6-dihydro-1,3-diazocine is C/C1=N/C=C\CC=CN1.
What is the InChIKey of (4E)-2-methyl-1,6-dihydro-1,3-diazocine?
The InChIKey is UWMCTANLOOARGN-COQNZLLUSA-N. The full InChI is InChI=1S/C7H10N2/c1-7-8-5-3-2-4-6-9-7/h3-6H,2H2,1H3,(H,8,9)/b5-3-,6-4?.
What are the key properties of (4E)-2-methyl-1,6-dihydro-1,3-diazocine?
(4E)-2-methyl-1,6-dihydro-1,3-diazocine has a molecular weight of 122.17 g/mol, XLogP of 1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-methyl-1,6-dihydro-1,3-diazocine is sourced from PubChem (CID 123209048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).