N-oxido-N-(6,10,10-trimethyl-2-methylidene-6-nitroso-5-bicyclo[7.2.0]undecanyl)hydroxylamine

C15H25N2O3- — CID 21122331

IUPACN-oxido-N-(6,10,10-trimethyl-2-methylidene-6-nitroso-5-bicyclo[7.2.0]undecanyl)hydroxylamine
SMILESC=C1CCC(N([O-])O)C(C)(N=O)CCC2C1CC2(C)C
InChIInChI=1S/C15H25N2O3/c1-10-5-6-13(17(19)20)15(4,16-18)8-7-12-11(10)9-14(12,2)3/h11-13,19H,1,5-9H2,2-4H3/q-1
InChIKeyWUQHIZOYYWFKNT-UHFFFAOYSA-N
MW281.38 g/mol
LogP3.86
Rot. Bonds2

About N-oxido-N-(6,10,10-trimethyl-2-methylidene-6-nitroso-5-bicyclo[7.2.0]undecanyl)hydroxylamine

N-oxido-N-(6,10,10-trimethyl-2-methylidene-6-nitroso-5-bicyclo[7.2.0]undecanyl)hydroxylamine (PubChem CID 21122331) has the molecular formula C15H25N2O3- and a molecular weight of 281.38 g/mol. Its IUPAC name is N-oxido-N-(6,10,10-trimethyl-2-methylidene-6-nitroso-5-bicyclo[7.2.0]undecanyl)hydroxylamine.

Molecular Properties

Compound NameN-oxido-N-(6,10,10-trimethyl-2-methylidene-6-nitroso-5-bicyclo[7.2.0]undecanyl)hydroxylamine
PubChem CID21122331
Molecular FormulaC15H25N2O3-
Molecular Weight281.38 g/mol
Exact Mass281.19
IUPAC NameN-oxido-N-(6,10,10-trimethyl-2-methylidene-6-nitroso-5-bicyclo[7.2.0]undecanyl)hydroxylamine
SMILESC=C1CCC(N([O-])O)C(C)(N=O)CCC2C1CC2(C)C
InChIInChI=1S/C15H25N2O3/c1-10-5-6-13(17(19)20)15(4,16-18)8-7-12-11(10)9-14(12,2)3/h11-13,19H,1,5-9H2,2-4H3/q-1
InChIKeyWUQHIZOYYWFKNT-UHFFFAOYSA-N
XLogP3.86
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-oxido-N-(6,10,10-trimethyl-2-methylidene-6-nitroso-5-bicyclo[7.2.0]undecanyl)hydroxylamine with MolForge

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Related Compounds

4,12,12-trimethyl-9-methylidenetricyclo[8.2.0.04,6]dodecan-5-one
CID 14697674
1-[(1R,4S,8S)-10,10-dimethyl-7-methylidene-4-bicyclo[6.2.0]decanyl]ethanone
CID 121415673
(1R,4R,8S)-4,10,10-trimethyl-7-methylidenebicyclo[6.2.0]decane-4-carbaldehyde
CID 162391180
(1S,6S,9R)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecan-5-ol
CID 122525723
5-hydroxy-10,10-dimethyl-6-methylidenebicyclo[7.2.0]undecan-2-one
CID 3860435
11,11-dimethyl-8-methylidenebicyclo[7.2.0]undecane-4-carbaldehyde
CID 85157604
(1R,4Z,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene
CID 5281522
(3R,4S)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecan-3-ol
CID 22297359
[(1S,4Z,9S)-11,11-dimethyl-8-methylidene-4-bicyclo[7.2.0]undec-4-enyl]methanol
CID 91753476
(1S,4E)-5,9,9-trimethyl-2-methylidenebicyclo[6.2.0]dec-4-ene
CID 16758050
(1aS,4aS,7aS,7bR)-3,3,7b-trimethyl-5-methylidene-1,1a,2,4,4a,6,7,7a-octahydrocyclopropa[e]azulene
CID 42608165
(1aR,4aS,7aR,7bR)-3,3,7b-trimethyl-5-methylidene-1,1a,2,4,4a,6,7,7a-octahydrocyclopropa[e]azulene
CID 15227493

Frequently Asked Questions

What is the IUPAC name of N-oxido-N-(6,10,10-trimethyl-2-methylidene-6-nitroso-5-bicyclo[7.2.0]undecanyl)hydroxylamine?
The IUPAC name of N-oxido-N-(6,10,10-trimethyl-2-methylidene-6-nitroso-5-bicyclo[7.2.0]undecanyl)hydroxylamine (CID 21122331) is N-oxido-N-(6,10,10-trimethyl-2-methylidene-6-nitroso-5-bicyclo[7.2.0]undecanyl)hydroxylamine.
What is the SMILES notation for N-oxido-N-(6,10,10-trimethyl-2-methylidene-6-nitroso-5-bicyclo[7.2.0]undecanyl)hydroxylamine?
The canonical SMILES for N-oxido-N-(6,10,10-trimethyl-2-methylidene-6-nitroso-5-bicyclo[7.2.0]undecanyl)hydroxylamine is C=C1CCC(N([O-])O)C(C)(N=O)CCC2C1CC2(C)C.
What is the InChIKey of N-oxido-N-(6,10,10-trimethyl-2-methylidene-6-nitroso-5-bicyclo[7.2.0]undecanyl)hydroxylamine?
The InChIKey is WUQHIZOYYWFKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N2O3/c1-10-5-6-13(17(19)20)15(4,16-18)8-7-12-11(10)9-14(12,2)3/h11-13,19H,1,5-9H2,2-4H3/q-1.
What are the key properties of N-oxido-N-(6,10,10-trimethyl-2-methylidene-6-nitroso-5-bicyclo[7.2.0]undecanyl)hydroxylamine?
N-oxido-N-(6,10,10-trimethyl-2-methylidene-6-nitroso-5-bicyclo[7.2.0]undecanyl)hydroxylamine has a molecular weight of 281.38 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-oxido-N-(6,10,10-trimethyl-2-methylidene-6-nitroso-5-bicyclo[7.2.0]undecanyl)hydroxylamine is sourced from PubChem (CID 21122331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).