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

C10H17NO — CID 16758031

IUPAC(NE)-N-[(1S,2S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine
SMILESC[C@@H]1/C(=N/O)CC2C[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-DINJSILASA-N
MW167.25 g/mol
LogP2.52
Rot. Bonds

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

(NE)-N-[(1S,2S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine (PubChem CID 16758031) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (NE)-N-[(1S,2S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(1S,2S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine
PubChem CID16758031
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(NE)-N-[(1S,2S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine
SMILESC[C@@H]1/C(=N/O)CC2C[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-DINJSILASA-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 (NE)-N-[(1S,2S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(1S,2S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine (CID 16758031) is (NE)-N-[(1S,2S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(1S,2S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(1S,2S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine is C[C@@H]1/C(=N/O)CC2C[C@@H]1C2(C)C.
What is the InChIKey of (NE)-N-[(1S,2S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine?
The InChIKey is PLKZJFBLYSCGKF-DINJSILASA-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 (NE)-N-[(1S,2S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine?
(NE)-N-[(1S,2S)-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 (NE)-N-[(1S,2S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine is sourced from PubChem (CID 16758031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).