N-(7-hydroxyimino-9,9-dimethoxy-3-bicyclo[3.3.1]nonanylidene)hydroxylamine

C11H18N2O4 — CID 15262063

IUPACN-(7-hydroxyimino-9,9-dimethoxy-3-bicyclo[3.3.1]nonanylidene)hydroxylamine
SMILESCOC1(OC)C2CC(=NO)CC1CC(=NO)C2
InChIInChI=1S/C11H18N2O4/c1-16-11(17-2)7-3-9(12-14)5-8(11)6-10(4-7)13-15/h7-8,14-15H,3-6H2,1-2H3/b12-9-,13-10-
InChIKeyKBJZKCAVRNKIFL-QKFASICWSA-N
MW242.27 g/mol
LogP1.46
Rot. Bonds2

About N-(7-hydroxyimino-9,9-dimethoxy-3-bicyclo[3.3.1]nonanylidene)hydroxylamine

N-(7-hydroxyimino-9,9-dimethoxy-3-bicyclo[3.3.1]nonanylidene)hydroxylamine (PubChem CID 15262063) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is N-(7-hydroxyimino-9,9-dimethoxy-3-bicyclo[3.3.1]nonanylidene)hydroxylamine.

Molecular Properties

Compound NameN-(7-hydroxyimino-9,9-dimethoxy-3-bicyclo[3.3.1]nonanylidene)hydroxylamine
PubChem CID15262063
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC NameN-(7-hydroxyimino-9,9-dimethoxy-3-bicyclo[3.3.1]nonanylidene)hydroxylamine
SMILESCOC1(OC)C2CC(=NO)CC1CC(=NO)C2
InChIInChI=1S/C11H18N2O4/c1-16-11(17-2)7-3-9(12-14)5-8(11)6-10(4-7)13-15/h7-8,14-15H,3-6H2,1-2H3/b12-9-,13-10-
InChIKeyKBJZKCAVRNKIFL-QKFASICWSA-N
XLogP1.46
TPSA83.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_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 N-(7-hydroxyimino-9,9-dimethoxy-3-bicyclo[3.3.1]nonanylidene)hydroxylamine?
The IUPAC name of N-(7-hydroxyimino-9,9-dimethoxy-3-bicyclo[3.3.1]nonanylidene)hydroxylamine (CID 15262063) is N-(7-hydroxyimino-9,9-dimethoxy-3-bicyclo[3.3.1]nonanylidene)hydroxylamine.
What is the SMILES notation for N-(7-hydroxyimino-9,9-dimethoxy-3-bicyclo[3.3.1]nonanylidene)hydroxylamine?
The canonical SMILES for N-(7-hydroxyimino-9,9-dimethoxy-3-bicyclo[3.3.1]nonanylidene)hydroxylamine is COC1(OC)C2CC(=NO)CC1CC(=NO)C2.
What is the InChIKey of N-(7-hydroxyimino-9,9-dimethoxy-3-bicyclo[3.3.1]nonanylidene)hydroxylamine?
The InChIKey is KBJZKCAVRNKIFL-QKFASICWSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-16-11(17-2)7-3-9(12-14)5-8(11)6-10(4-7)13-15/h7-8,14-15H,3-6H2,1-2H3/b12-9-,13-10-.
What are the key properties of N-(7-hydroxyimino-9,9-dimethoxy-3-bicyclo[3.3.1]nonanylidene)hydroxylamine?
N-(7-hydroxyimino-9,9-dimethoxy-3-bicyclo[3.3.1]nonanylidene)hydroxylamine has a molecular weight of 242.27 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-hydroxyimino-9,9-dimethoxy-3-bicyclo[3.3.1]nonanylidene)hydroxylamine is sourced from PubChem (CID 15262063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).