(NZ)-N-[(1R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine

C10H17NO — CID 6857768

IUPAC(NZ)-N-[(1R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine
SMILESCC1/C(=N\O)C[C@@H]2C[C@H]1C2(C)C
InChIInChI=1S/C10H17NO/c1-6-8-4-7(10(8,2)3)5-9(6)11-12/h6-8,12H,4-5H2,1-3H3/b11-9-/t6?,7-,8+/m0/s1
InChIKeyPLKZJFBLYSCGKF-WTDBIYKDSA-N
MW167.25 g/mol
LogP2.52
Rot. Bonds

About (NZ)-N-[(1R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine

(NZ)-N-[(1R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine (PubChem CID 6857768) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (NZ)-N-[(1R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(1R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine
PubChem CID6857768
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(NZ)-N-[(1R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine
SMILESCC1/C(=N\O)C[C@@H]2C[C@H]1C2(C)C
InChIInChI=1S/C10H17NO/c1-6-8-4-7(10(8,2)3)5-9(6)11-12/h6-8,12H,4-5H2,1-3H3/b11-9-/t6?,7-,8+/m0/s1
InChIKeyPLKZJFBLYSCGKF-WTDBIYKDSA-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'}

Analyze (NZ)-N-[(1R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine with MolForge

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Related Compounds

3-Pinanone oxime
CID 9605260
(NE)-N-[(1S,2S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine
CID 16758031
2,6,6-Trimethylbicyclo[3.1.1]heptan-3-one oxime
CID 4015911
N-methoxy-6,6-dimethylbicyclo[3.1.1]heptan-2-imine
CID 74421305
N-(4,6,6-Trimethylbicyclo[3.1.1]heptan-2-ylidene)hydroxylamine
CID 5215958
Isopinocamphone oxime
CID 98456690
2,5-Di-tert.-butyl-cyclohexanonoxim
CID 129628933
Trimethylbicyclo[3.1.1]heptane-3-one oxime
CID 129761049
(NE)-N-[(3R)-2,2,3,4,4-pentamethylcyclohexylidene]hydroxylamine
CID 134834212
(NE)-N-[4-(2,3-dimethylbutan-2-yl)-2-methylcyclohexylidene]hydroxylamine
CID 6236865
1-Bicyclo[3.3.1]non-1-ylethanone oxime
CID 6369640
(NE)-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene)hydroxylamine
CID 9643177

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(1R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(1R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine (CID 6857768) is (NZ)-N-[(1R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(1R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(1R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine is CC1/C(=N\O)C[C@@H]2C[C@H]1C2(C)C.
What is the InChIKey of (NZ)-N-[(1R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine?
The InChIKey is PLKZJFBLYSCGKF-WTDBIYKDSA-N. The full InChI is InChI=1S/C10H17NO/c1-6-8-4-7(10(8,2)3)5-9(6)11-12/h6-8,12H,4-5H2,1-3H3/b11-9-/t6?,7-,8+/m0/s1.
What are the key properties of (NZ)-N-[(1R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine?
(NZ)-N-[(1R,5S)-2,6,6-trimethyl-3-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 (NZ)-N-[(1R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine is sourced from PubChem (CID 6857768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).