(4E)-N-(methyldiazenyl)-9-methylidenebicyclo[6.1.0]non-4-en-4-amine

C11H17N3 — CID 118372149

IUPAC(4E)-N-(methyldiazenyl)-9-methylidenebicyclo[6.1.0]non-4-en-4-amine
SMILESC=C1C2CC/C=C(/N/N=N/C)CCC12
InChIInChI=1S/C11H17N3/c1-8-10-5-3-4-9(13-14-12-2)6-7-11(8)10/h4,10-11H,1,3,5-7H2,2H3,(H,12,13)/b9-4+
InChIKeyCMZBNDDVIPTWAO-RUDMXATFSA-N
MW191.28 g/mol
LogP2.83
Rot. Bonds2

About (4E)-N-(methyldiazenyl)-9-methylidenebicyclo[6.1.0]non-4-en-4-amine

(4E)-N-(methyldiazenyl)-9-methylidenebicyclo[6.1.0]non-4-en-4-amine (PubChem CID 118372149) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is (4E)-N-(methyldiazenyl)-9-methylidenebicyclo[6.1.0]non-4-en-4-amine.

Molecular Properties

Compound Name(4E)-N-(methyldiazenyl)-9-methylidenebicyclo[6.1.0]non-4-en-4-amine
PubChem CID118372149
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name(4E)-N-(methyldiazenyl)-9-methylidenebicyclo[6.1.0]non-4-en-4-amine
SMILESC=C1C2CC/C=C(/N/N=N/C)CCC12
InChIInChI=1S/C11H17N3/c1-8-10-5-3-4-9(13-14-12-2)6-7-11(8)10/h4,10-11H,1,3,5-7H2,2H3,(H,12,13)/b9-4+
InChIKeyCMZBNDDVIPTWAO-RUDMXATFSA-N
XLogP2.83
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E)-N-(methyldiazenyl)-9-methylidenebicyclo[6.1.0]non-4-en-4-amine?
The IUPAC name of (4E)-N-(methyldiazenyl)-9-methylidenebicyclo[6.1.0]non-4-en-4-amine (CID 118372149) is (4E)-N-(methyldiazenyl)-9-methylidenebicyclo[6.1.0]non-4-en-4-amine.
What is the SMILES notation for (4E)-N-(methyldiazenyl)-9-methylidenebicyclo[6.1.0]non-4-en-4-amine?
The canonical SMILES for (4E)-N-(methyldiazenyl)-9-methylidenebicyclo[6.1.0]non-4-en-4-amine is C=C1C2CC/C=C(/N/N=N/C)CCC12.
What is the InChIKey of (4E)-N-(methyldiazenyl)-9-methylidenebicyclo[6.1.0]non-4-en-4-amine?
The InChIKey is CMZBNDDVIPTWAO-RUDMXATFSA-N. The full InChI is InChI=1S/C11H17N3/c1-8-10-5-3-4-9(13-14-12-2)6-7-11(8)10/h4,10-11H,1,3,5-7H2,2H3,(H,12,13)/b9-4+.
What are the key properties of (4E)-N-(methyldiazenyl)-9-methylidenebicyclo[6.1.0]non-4-en-4-amine?
(4E)-N-(methyldiazenyl)-9-methylidenebicyclo[6.1.0]non-4-en-4-amine has a molecular weight of 191.28 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-N-(methyldiazenyl)-9-methylidenebicyclo[6.1.0]non-4-en-4-amine is sourced from PubChem (CID 118372149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).