N-(4,6,6-trimethyl-2-bicyclo[3.1.1]heptanylidene)hydroxylamine

C10H17NO — CID 5215958

IUPACN-(4,6,6-trimethyl-2-bicyclo[3.1.1]heptanylidene)hydroxylamine
SMILESCC1CC(=NO)C2CC1C2(C)C
InChIInChI=1S/C10H17NO/c1-6-4-9(11-12)8-5-7(6)10(8,2)3/h6-8,12H,4-5H2,1-3H3
InChIKeyMCOZQWYYNKOOFC-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.52
Rot. Bonds

About N-(4,6,6-trimethyl-2-bicyclo[3.1.1]heptanylidene)hydroxylamine

N-(4,6,6-trimethyl-2-bicyclo[3.1.1]heptanylidene)hydroxylamine (PubChem CID 5215958) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-(4,6,6-trimethyl-2-bicyclo[3.1.1]heptanylidene)hydroxylamine.

Molecular Properties

Compound NameN-(4,6,6-trimethyl-2-bicyclo[3.1.1]heptanylidene)hydroxylamine
PubChem CID5215958
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-(4,6,6-trimethyl-2-bicyclo[3.1.1]heptanylidene)hydroxylamine
SMILESCC1CC(=NO)C2CC1C2(C)C
InChIInChI=1S/C10H17NO/c1-6-4-9(11-12)8-5-7(6)10(8,2)3/h6-8,12H,4-5H2,1-3H3
InChIKeyMCOZQWYYNKOOFC-UHFFFAOYSA-N
XLogP2.52
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

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Frequently Asked Questions

What is the IUPAC name of N-(4,6,6-trimethyl-2-bicyclo[3.1.1]heptanylidene)hydroxylamine?
The IUPAC name of N-(4,6,6-trimethyl-2-bicyclo[3.1.1]heptanylidene)hydroxylamine (CID 5215958) is N-(4,6,6-trimethyl-2-bicyclo[3.1.1]heptanylidene)hydroxylamine.
What is the SMILES notation for N-(4,6,6-trimethyl-2-bicyclo[3.1.1]heptanylidene)hydroxylamine?
The canonical SMILES for N-(4,6,6-trimethyl-2-bicyclo[3.1.1]heptanylidene)hydroxylamine is CC1CC(=NO)C2CC1C2(C)C.
What is the InChIKey of N-(4,6,6-trimethyl-2-bicyclo[3.1.1]heptanylidene)hydroxylamine?
The InChIKey is MCOZQWYYNKOOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-6-4-9(11-12)8-5-7(6)10(8,2)3/h6-8,12H,4-5H2,1-3H3.
What are the key properties of N-(4,6,6-trimethyl-2-bicyclo[3.1.1]heptanylidene)hydroxylamine?
N-(4,6,6-trimethyl-2-bicyclo[3.1.1]heptanylidene)hydroxylamine has a molecular weight of 167.25 g/mol, XLogP of 2.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6,6-trimethyl-2-bicyclo[3.1.1]heptanylidene)hydroxylamine is sourced from PubChem (CID 5215958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).