(2Z,4Z,7Z)-6-methylidene-1H-diazocine

C7H8N2 — CID 143715513

IUPAC(2Z,4Z,7Z)-6-methylidene-1H-diazocine
SMILESC=C1/C=C\C=N/N/C=C\1
InChIInChI=1S/C7H8N2/c1-7-3-2-5-8-9-6-4-7/h2-6,9H,1H2/b3-2-,6-4-,8-5-
InChIKeyIEBIQAQUMOKBDQ-XFDHWRDWSA-N
MW120.15 g/mol
LogP1.20
Rot. Bonds

About (2Z,4Z,7Z)-6-methylidene-1H-diazocine

(2Z,4Z,7Z)-6-methylidene-1H-diazocine (PubChem CID 143715513) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is (2Z,4Z,7Z)-6-methylidene-1H-diazocine.

Molecular Properties

Compound Name(2Z,4Z,7Z)-6-methylidene-1H-diazocine
PubChem CID143715513
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name(2Z,4Z,7Z)-6-methylidene-1H-diazocine
SMILESC=C1/C=C\C=N/N/C=C\1
InChIInChI=1S/C7H8N2/c1-7-3-2-5-8-9-6-4-7/h2-6,9H,1H2/b3-2-,6-4-,8-5-
InChIKeyIEBIQAQUMOKBDQ-XFDHWRDWSA-N
XLogP1.20
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z,7Z)-6-methylidene-1H-diazocine?
The IUPAC name of (2Z,4Z,7Z)-6-methylidene-1H-diazocine (CID 143715513) is (2Z,4Z,7Z)-6-methylidene-1H-diazocine.
What is the SMILES notation for (2Z,4Z,7Z)-6-methylidene-1H-diazocine?
The canonical SMILES for (2Z,4Z,7Z)-6-methylidene-1H-diazocine is C=C1/C=C\C=N/N/C=C\1.
What is the InChIKey of (2Z,4Z,7Z)-6-methylidene-1H-diazocine?
The InChIKey is IEBIQAQUMOKBDQ-XFDHWRDWSA-N. The full InChI is InChI=1S/C7H8N2/c1-7-3-2-5-8-9-6-4-7/h2-6,9H,1H2/b3-2-,6-4-,8-5-.
What are the key properties of (2Z,4Z,7Z)-6-methylidene-1H-diazocine?
(2Z,4Z,7Z)-6-methylidene-1H-diazocine has a molecular weight of 120.15 g/mol, XLogP of 1.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z,7Z)-6-methylidene-1H-diazocine is sourced from PubChem (CID 143715513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).