(1S,2Z,4S)-2-hydroxyimino-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylate

C10H14NO3- — CID 23309790

IUPAC(1S,2Z,4S)-2-hydroxyimino-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylate
SMILESCC1(C)[C@H]2CC[C@@]1(C(=O)[O-])/C(=N\O)C2
InChIInChI=1S/C10H15NO3/c1-9(2)6-3-4-10(9,8(12)13)7(5-6)11-14/h6,14H,3-5H2,1-2H3,(H,12,13)/p-1/b11-7-/t6-,10-/m0/s1
InChIKeyRUXKABJRHSLBTR-DINUDXAQSA-M
MW196.23 g/mol
LogP0.39
Rot. Bonds1

About (1S,2Z,4S)-2-hydroxyimino-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylate

(1S,2Z,4S)-2-hydroxyimino-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylate (PubChem CID 23309790) has the molecular formula C10H14NO3- and a molecular weight of 196.23 g/mol. Its IUPAC name is (1S,2Z,4S)-2-hydroxyimino-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylate.

Molecular Properties

Compound Name(1S,2Z,4S)-2-hydroxyimino-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylate
PubChem CID23309790
Molecular FormulaC10H14NO3-
Molecular Weight196.23 g/mol
Exact Mass196.10
IUPAC Name(1S,2Z,4S)-2-hydroxyimino-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylate
SMILESCC1(C)[C@H]2CC[C@@]1(C(=O)[O-])/C(=N\O)C2
InChIInChI=1S/C10H15NO3/c1-9(2)6-3-4-10(9,8(12)13)7(5-6)11-14/h6,14H,3-5H2,1-2H3,(H,12,13)/p-1/b11-7-/t6-,10-/m0/s1
InChIKeyRUXKABJRHSLBTR-DINUDXAQSA-M
XLogP0.39
TPSA72.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (1S,2Z,4S)-2-hydroxyimino-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

potassium (2E)-2-hydroxyimino-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylate
CID 23670975
N-[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
CID 45157399
(1R,4R)-7,7-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxylic acid
CID 134995170
(1S,4R)-7,7-dimethyl-N,2-dioxobicyclo[2.2.1]heptane-1-carboxamide
CID 102244184
N,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 102547267
dibismuth;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;tricarbonate
CID 158108968
3-[(1S,2Z,4S,7S)-2-hydroxyimino-1,7-dimethyl-7-bicyclo[2.2.1]heptanyl]propanoic acid
CID 124853169
[(1S,4S,6Z)-6-hydroxyimino-1,3,3-trimethyl-2-azabicyclo[2.2.2]octan-2-yl] acetate
CID 23308833
(E,1S,4S)-1,7,7-trimethyl-N-[(E)-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]bicyclo[2.2.1]heptan-2-imine
CID 124885950
(NZ)-N-[(1R,5S)-1,8,8-trimethyl-2-bicyclo[3.2.1]octanylidene]hydroxylamine
CID 23376293
(NZ)-N-[(1R,4R,7R)-7-(bromomethyl)-1,7-dimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
CID 7744961
(1S,4R)-7,7-dimethyl-2-(pyridin-2-ylmethylimino)bicyclo[2.2.1]heptane-1-carboxylic acid
CID 101431000

Frequently Asked Questions

What is the IUPAC name of (1S,2Z,4S)-2-hydroxyimino-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylate?
The IUPAC name of (1S,2Z,4S)-2-hydroxyimino-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylate (CID 23309790) is (1S,2Z,4S)-2-hydroxyimino-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylate.
What is the SMILES notation for (1S,2Z,4S)-2-hydroxyimino-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylate?
The canonical SMILES for (1S,2Z,4S)-2-hydroxyimino-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylate is CC1(C)[C@H]2CC[C@@]1(C(=O)[O-])/C(=N\O)C2.
What is the InChIKey of (1S,2Z,4S)-2-hydroxyimino-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylate?
The InChIKey is RUXKABJRHSLBTR-DINUDXAQSA-M. The full InChI is InChI=1S/C10H15NO3/c1-9(2)6-3-4-10(9,8(12)13)7(5-6)11-14/h6,14H,3-5H2,1-2H3,(H,12,13)/p-1/b11-7-/t6-,10-/m0/s1.
What are the key properties of (1S,2Z,4S)-2-hydroxyimino-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylate?
(1S,2Z,4S)-2-hydroxyimino-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylate has a molecular weight of 196.23 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2Z,4S)-2-hydroxyimino-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylate is sourced from PubChem (CID 23309790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).