(6Z)-6-hydrazinylidenebicyclo[9.2.2]pentadeca-1(13),11,14-trien-5-one

C15H20N2O — CID 24972727

IUPAC(6Z)-6-hydrazinylidenebicyclo[9.2.2]pentadeca-1(13),11,14-trien-5-one
SMILESN/N=C1/CCCCc2ccc(cc2)CCCC1=O
InChIInChI=1S/C15H20N2O/c16-17-14-6-2-1-4-12-8-10-13(11-9-12)5-3-7-15(14)18/h8-11H,1-7,16H2/b17-14-
InChIKeyJWNICPOXVWNINM-VKAVYKQESA-N
MW244.34 g/mol
LogP2.62
Rot. Bonds

About (6Z)-6-hydrazinylidenebicyclo[9.2.2]pentadeca-1(13),11,14-trien-5-one

(6Z)-6-hydrazinylidenebicyclo[9.2.2]pentadeca-1(13),11,14-trien-5-one (PubChem CID 24972727) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is (6Z)-6-hydrazinylidenebicyclo[9.2.2]pentadeca-1(13),11,14-trien-5-one.

Molecular Properties

Compound Name(6Z)-6-hydrazinylidenebicyclo[9.2.2]pentadeca-1(13),11,14-trien-5-one
PubChem CID24972727
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name(6Z)-6-hydrazinylidenebicyclo[9.2.2]pentadeca-1(13),11,14-trien-5-one
SMILESN/N=C1/CCCCc2ccc(cc2)CCCC1=O
InChIInChI=1S/C15H20N2O/c16-17-14-6-2-1-4-12-8-10-13(11-9-12)5-3-7-15(14)18/h8-11H,1-7,16H2/b17-14-
InChIKeyJWNICPOXVWNINM-VKAVYKQESA-N
XLogP2.62
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 (6Z)-6-hydrazinylidenebicyclo[9.2.2]pentadeca-1(13),11,14-trien-5-one?
The IUPAC name of (6Z)-6-hydrazinylidenebicyclo[9.2.2]pentadeca-1(13),11,14-trien-5-one (CID 24972727) is (6Z)-6-hydrazinylidenebicyclo[9.2.2]pentadeca-1(13),11,14-trien-5-one.
What is the SMILES notation for (6Z)-6-hydrazinylidenebicyclo[9.2.2]pentadeca-1(13),11,14-trien-5-one?
The canonical SMILES for (6Z)-6-hydrazinylidenebicyclo[9.2.2]pentadeca-1(13),11,14-trien-5-one is N/N=C1/CCCCc2ccc(cc2)CCCC1=O.
What is the InChIKey of (6Z)-6-hydrazinylidenebicyclo[9.2.2]pentadeca-1(13),11,14-trien-5-one?
The InChIKey is JWNICPOXVWNINM-VKAVYKQESA-N. The full InChI is InChI=1S/C15H20N2O/c16-17-14-6-2-1-4-12-8-10-13(11-9-12)5-3-7-15(14)18/h8-11H,1-7,16H2/b17-14-.
What are the key properties of (6Z)-6-hydrazinylidenebicyclo[9.2.2]pentadeca-1(13),11,14-trien-5-one?
(6Z)-6-hydrazinylidenebicyclo[9.2.2]pentadeca-1(13),11,14-trien-5-one has a molecular weight of 244.34 g/mol, XLogP of 2.62, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-hydrazinylidenebicyclo[9.2.2]pentadeca-1(13),11,14-trien-5-one is sourced from PubChem (CID 24972727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).