(7E)-5-methyl-1,6-dihydro-1,3-diazocine

C7H10N2 — CID 90740078

IUPAC(7E)-5-methyl-1,6-dihydro-1,3-diazocine
SMILESCC1=C/N=C\N/C=C\C1
InChIInChI=1S/C7H10N2/c1-7-3-2-4-8-6-9-5-7/h2,4-6H,3H2,1H3,(H,8,9)/b4-2-,7-5?
InChIKeyFRGBHISUKVNTMZ-YHWNOKGWSA-N
MW122.17 g/mol
LogP1.43
Rot. Bonds

About (7E)-5-methyl-1,6-dihydro-1,3-diazocine

(7E)-5-methyl-1,6-dihydro-1,3-diazocine (PubChem CID 90740078) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is (7E)-5-methyl-1,6-dihydro-1,3-diazocine.

Molecular Properties

Compound Name(7E)-5-methyl-1,6-dihydro-1,3-diazocine
PubChem CID90740078
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name(7E)-5-methyl-1,6-dihydro-1,3-diazocine
SMILESCC1=C/N=C\N/C=C\C1
InChIInChI=1S/C7H10N2/c1-7-3-2-4-8-6-9-5-7/h2,4-6H,3H2,1H3,(H,8,9)/b4-2-,7-5?
InChIKeyFRGBHISUKVNTMZ-YHWNOKGWSA-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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6-Methyl-1,4,5,6-tetrahydro-1,3-diazocine
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N-[(E)-but-1-enyl]-N'-methylmethanimidamide
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N'-[(1Z)-3-methylbuta-1,3-dienyl]methanimidamide
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N'-methyl-N-(2-methylbut-1-enyl)methanimidamide
CID 89934043
N'-ethyl-N-[(Z)-prop-1-enyl]methanimidamide
CID 90248445
N'-methyl-N-[(E)-3-methylbut-1-enyl]methanimidamide
CID 90370990
But-1-enyl-methyl-(methylaminomethylidene)azanium
CID 90686235
4,5-dihydro-1H-1,3-diazepine
CID 90872392
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Frequently Asked Questions

What is the IUPAC name of (7E)-5-methyl-1,6-dihydro-1,3-diazocine?
The IUPAC name of (7E)-5-methyl-1,6-dihydro-1,3-diazocine (CID 90740078) is (7E)-5-methyl-1,6-dihydro-1,3-diazocine.
What is the SMILES notation for (7E)-5-methyl-1,6-dihydro-1,3-diazocine?
The canonical SMILES for (7E)-5-methyl-1,6-dihydro-1,3-diazocine is CC1=C/N=C\N/C=C\C1.
What is the InChIKey of (7E)-5-methyl-1,6-dihydro-1,3-diazocine?
The InChIKey is FRGBHISUKVNTMZ-YHWNOKGWSA-N. The full InChI is InChI=1S/C7H10N2/c1-7-3-2-4-8-6-9-5-7/h2,4-6H,3H2,1H3,(H,8,9)/b4-2-,7-5?.
What are the key properties of (7E)-5-methyl-1,6-dihydro-1,3-diazocine?
(7E)-5-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 (7E)-5-methyl-1,6-dihydro-1,3-diazocine is sourced from PubChem (CID 90740078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).