(3E)-1,7,7-trimethyl-3-(methylhydrazinylidene)bicyclo[2.2.1]heptan-2-one

C11H18N2O — CID 102377379

IUPAC(3E)-1,7,7-trimethyl-3-(methylhydrazinylidene)bicyclo[2.2.1]heptan-2-one
SMILESCN/N=C1/C(=O)C2(C)CCC1C2(C)C
InChIInChI=1S/C11H18N2O/c1-10(2)7-5-6-11(10,3)9(14)8(7)13-12-4/h7,12H,5-6H2,1-4H3/b13-8+
InChIKeyKRRZIKOXHNDIHF-MDWZMJQESA-N
MW194.28 g/mol
LogP1.59
Rot. Bonds1

About (3E)-1,7,7-trimethyl-3-(methylhydrazinylidene)bicyclo[2.2.1]heptan-2-one

(3E)-1,7,7-trimethyl-3-(methylhydrazinylidene)bicyclo[2.2.1]heptan-2-one (PubChem CID 102377379) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (3E)-1,7,7-trimethyl-3-(methylhydrazinylidene)bicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name(3E)-1,7,7-trimethyl-3-(methylhydrazinylidene)bicyclo[2.2.1]heptan-2-one
PubChem CID102377379
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(3E)-1,7,7-trimethyl-3-(methylhydrazinylidene)bicyclo[2.2.1]heptan-2-one
SMILESCN/N=C1/C(=O)C2(C)CCC1C2(C)C
InChIInChI=1S/C11H18N2O/c1-10(2)7-5-6-11(10,3)9(14)8(7)13-12-4/h7,12H,5-6H2,1-4H3/b13-8+
InChIKeyKRRZIKOXHNDIHF-MDWZMJQESA-N
XLogP1.59
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.59
H-Bond Donors ≤ 51
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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Related Compounds

(1R,3E,4S)-3-hydroxyimino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 7271809
1,1-dimethyl-3-[(E)-(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene)amino]thiourea
CID 6037975
(1S,3Z,4R)-1,7,7-trimethyl-3-[(4-methylphenyl)hydrazinylidene]bicyclo[2.2.1]heptan-2-one
CID 7064999
(1R,4S)-1,7,7-trimethyl-3-(2-methylpropylimino)bicyclo[2.2.1]heptan-2-one
CID 10262951
1,7,7-trimethyl-3-phenyliminobicyclo[2.2.1]heptan-2-one
CID 611586
1-phenyl-3-[(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene)amino]thiourea
CID 3698134
1-(4-methylphenyl)-3-[(E)-[(1R,4S)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene]amino]thiourea
CID 7073857
(3E)-3-(diphenylhydrazinylidene)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 102191438
ethyl 4-[(2Z)-2-[(1R,4R)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene]hydrazinyl]benzoate
CID 23309396
1,8,8-trimethylbicyclo[3.2.1]octane-2,3,4-trione
CID 13087895
(1S,4S)-N,4,7,7-tetramethyl-3-oxobicyclo[2.2.1]heptan-2-imine oxide
CID 23309785
1,7,7-trimethyl-3-[methyl(phenyl)hydrazinylidene]bicyclo[2.2.1]heptan-2-one
CID 3769781

Frequently Asked Questions

What is the IUPAC name of (3E)-1,7,7-trimethyl-3-(methylhydrazinylidene)bicyclo[2.2.1]heptan-2-one?
The IUPAC name of (3E)-1,7,7-trimethyl-3-(methylhydrazinylidene)bicyclo[2.2.1]heptan-2-one (CID 102377379) is (3E)-1,7,7-trimethyl-3-(methylhydrazinylidene)bicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for (3E)-1,7,7-trimethyl-3-(methylhydrazinylidene)bicyclo[2.2.1]heptan-2-one?
The canonical SMILES for (3E)-1,7,7-trimethyl-3-(methylhydrazinylidene)bicyclo[2.2.1]heptan-2-one is CN/N=C1/C(=O)C2(C)CCC1C2(C)C.
What is the InChIKey of (3E)-1,7,7-trimethyl-3-(methylhydrazinylidene)bicyclo[2.2.1]heptan-2-one?
The InChIKey is KRRZIKOXHNDIHF-MDWZMJQESA-N. The full InChI is InChI=1S/C11H18N2O/c1-10(2)7-5-6-11(10,3)9(14)8(7)13-12-4/h7,12H,5-6H2,1-4H3/b13-8+.
What are the key properties of (3E)-1,7,7-trimethyl-3-(methylhydrazinylidene)bicyclo[2.2.1]heptan-2-one?
(3E)-1,7,7-trimethyl-3-(methylhydrazinylidene)bicyclo[2.2.1]heptan-2-one has a molecular weight of 194.28 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1,7,7-trimethyl-3-(methylhydrazinylidene)bicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 102377379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).