(5Z)-7-methyl-2,7-dihydro-1,4-diazocine

C7H10N2 — CID 143425889

IUPAC(5Z)-7-methyl-2,7-dihydro-1,4-diazocine
SMILESCC1/C=C\N=C/C/N=C\1
InChIInChI=1S/C7H10N2/c1-7-2-3-8-4-5-9-6-7/h2-4,6-7H,5H2,1H3/b3-2-,8-4-,9-6-
InChIKeyDUMFGUGOYKAHOH-KQLMLIOSSA-N
MW122.17 g/mol
LogP1.29
Rot. Bonds

About (5Z)-7-methyl-2,7-dihydro-1,4-diazocine

(5Z)-7-methyl-2,7-dihydro-1,4-diazocine (PubChem CID 143425889) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is (5Z)-7-methyl-2,7-dihydro-1,4-diazocine.

Molecular Properties

Compound Name(5Z)-7-methyl-2,7-dihydro-1,4-diazocine
PubChem CID143425889
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name(5Z)-7-methyl-2,7-dihydro-1,4-diazocine
SMILESCC1/C=C\N=C/C/N=C\1
InChIInChI=1S/C7H10N2/c1-7-2-3-8-4-5-9-6-7/h2-4,6-7H,5H2,1H3/b3-2-,8-4-,9-6-
InChIKeyDUMFGUGOYKAHOH-KQLMLIOSSA-N
XLogP1.29
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1Z,3Z,5E)-2,5-difluoro-7-methyl-2,7-dihydro-1,4-diazocine
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N-[(E)-3-methylbut-1-enyl]ethanimine
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4-Methyl-3,4-dihydropyridine
CID 14979260
3-Methyl-3,4-dihydropyridine
CID 14979268
3-ethenyl-1-methyl-3H-pyrrol-1-ium
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2-methyl-N-[(E)-3-methylbut-1-enyl]propan-1-imine
CID 22086823
3,4-Dimethyl-3,4-dihydropyridine
CID 22965950
N-but-1-enylpropan-1-imine
CID 53828011
N-but-1-enylbutan-1-imine
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1-ethyl-3-methyl-3H-pyrrol-1-ium
CID 57894667
N-[(Z)-but-1-enyl]propan-1-imine
CID 58975967

Frequently Asked Questions

What is the IUPAC name of (5Z)-7-methyl-2,7-dihydro-1,4-diazocine?
The IUPAC name of (5Z)-7-methyl-2,7-dihydro-1,4-diazocine (CID 143425889) is (5Z)-7-methyl-2,7-dihydro-1,4-diazocine.
What is the SMILES notation for (5Z)-7-methyl-2,7-dihydro-1,4-diazocine?
The canonical SMILES for (5Z)-7-methyl-2,7-dihydro-1,4-diazocine is CC1/C=C\N=C/C/N=C\1.
What is the InChIKey of (5Z)-7-methyl-2,7-dihydro-1,4-diazocine?
The InChIKey is DUMFGUGOYKAHOH-KQLMLIOSSA-N. The full InChI is InChI=1S/C7H10N2/c1-7-2-3-8-4-5-9-6-7/h2-4,6-7H,5H2,1H3/b3-2-,8-4-,9-6-.
What are the key properties of (5Z)-7-methyl-2,7-dihydro-1,4-diazocine?
(5Z)-7-methyl-2,7-dihydro-1,4-diazocine has a molecular weight of 122.17 g/mol, XLogP of 1.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-7-methyl-2,7-dihydro-1,4-diazocine is sourced from PubChem (CID 143425889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).