1,7,7-trimethyl-3-[methyl(phenyl)hydrazinylidene]bicyclo[2.2.1]heptan-2-one

C17H22N2O — CID 3769781

IUPAC1,7,7-trimethyl-3-[methyl(phenyl)hydrazinylidene]bicyclo[2.2.1]heptan-2-one
SMILESCN(N=C1C(=O)C2(C)CCC1C2(C)C)c1ccccc1
InChIInChI=1S/C17H22N2O/c1-16(2)13-10-11-17(16,3)15(20)14(13)18-19(4)12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3
InChIKeyDHXMOFQNJXYHSG-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.50
Rot. Bonds2

About 1,7,7-trimethyl-3-[methyl(phenyl)hydrazinylidene]bicyclo[2.2.1]heptan-2-one

1,7,7-trimethyl-3-[methyl(phenyl)hydrazinylidene]bicyclo[2.2.1]heptan-2-one (PubChem CID 3769781) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1,7,7-trimethyl-3-[methyl(phenyl)hydrazinylidene]bicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name1,7,7-trimethyl-3-[methyl(phenyl)hydrazinylidene]bicyclo[2.2.1]heptan-2-one
PubChem CID3769781
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1,7,7-trimethyl-3-[methyl(phenyl)hydrazinylidene]bicyclo[2.2.1]heptan-2-one
SMILESCN(N=C1C(=O)C2(C)CCC1C2(C)C)c1ccccc1
InChIInChI=1S/C17H22N2O/c1-16(2)13-10-11-17(16,3)15(20)14(13)18-19(4)12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3
InChIKeyDHXMOFQNJXYHSG-UHFFFAOYSA-N
XLogP3.50
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', '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 1,7,7-trimethyl-3-[methyl(phenyl)hydrazinylidene]bicyclo[2.2.1]heptan-2-one?
The IUPAC name of 1,7,7-trimethyl-3-[methyl(phenyl)hydrazinylidene]bicyclo[2.2.1]heptan-2-one (CID 3769781) is 1,7,7-trimethyl-3-[methyl(phenyl)hydrazinylidene]bicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for 1,7,7-trimethyl-3-[methyl(phenyl)hydrazinylidene]bicyclo[2.2.1]heptan-2-one?
The canonical SMILES for 1,7,7-trimethyl-3-[methyl(phenyl)hydrazinylidene]bicyclo[2.2.1]heptan-2-one is CN(N=C1C(=O)C2(C)CCC1C2(C)C)c1ccccc1.
What is the InChIKey of 1,7,7-trimethyl-3-[methyl(phenyl)hydrazinylidene]bicyclo[2.2.1]heptan-2-one?
The InChIKey is DHXMOFQNJXYHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-16(2)13-10-11-17(16,3)15(20)14(13)18-19(4)12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3.
What are the key properties of 1,7,7-trimethyl-3-[methyl(phenyl)hydrazinylidene]bicyclo[2.2.1]heptan-2-one?
1,7,7-trimethyl-3-[methyl(phenyl)hydrazinylidene]bicyclo[2.2.1]heptan-2-one has a molecular weight of 270.38 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,7-trimethyl-3-[methyl(phenyl)hydrazinylidene]bicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 3769781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).