(NE)-N-[(1S,2S,5S,6R,8S,9R,11Z)-11-hydroxyimino-3-tetracyclo[6.3.0.02,6.05,9]undecanylidene]hydroxylamine

C11H14N2O2 — CID 11903951

IUPAC(NE)-N-[(1S,2S,5S,6R,8S,9R,11Z)-11-hydroxyimino-3-tetracyclo[6.3.0.02,6.05,9]undecanylidene]hydroxylamine
SMILESO/N=C1/C[C@@H]2[C@@H]3C/C(=N\O)[C@H]4[C@@H]3C[C@@H]2[C@H]14
InChIInChI=1S/C11H14N2O2/c14-12-8-2-4-5-3-9(13-15)11-7(5)1-6(4)10(8)11/h4-7,10-11,14-15H,1-3H2/b12-8-,13-9+/t4-,5+,6+,7-,10-,11-/m1/s1
InChIKeyJWHDYBQMUQNNIA-HDABIFPFSA-N
MW206.24 g/mol
LogP1.57
Rot. Bonds

About (NE)-N-[(1S,2S,5S,6R,8S,9R,11Z)-11-hydroxyimino-3-tetracyclo[6.3.0.02,6.05,9]undecanylidene]hydroxylamine

(NE)-N-[(1S,2S,5S,6R,8S,9R,11Z)-11-hydroxyimino-3-tetracyclo[6.3.0.02,6.05,9]undecanylidene]hydroxylamine (PubChem CID 11903951) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is (NE)-N-[(1S,2S,5S,6R,8S,9R,11Z)-11-hydroxyimino-3-tetracyclo[6.3.0.02,6.05,9]undecanylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(1S,2S,5S,6R,8S,9R,11Z)-11-hydroxyimino-3-tetracyclo[6.3.0.02,6.05,9]undecanylidene]hydroxylamine
PubChem CID11903951
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name(NE)-N-[(1S,2S,5S,6R,8S,9R,11Z)-11-hydroxyimino-3-tetracyclo[6.3.0.02,6.05,9]undecanylidene]hydroxylamine
SMILESO/N=C1/C[C@@H]2[C@@H]3C/C(=N\O)[C@H]4[C@@H]3C[C@@H]2[C@H]14
InChIInChI=1S/C11H14N2O2/c14-12-8-2-4-5-3-9(13-15)11-7(5)1-6(4)10(8)11/h4-7,10-11,14-15H,1-3H2/b12-8-,13-9+/t4-,5+,6+,7-,10-,11-/m1/s1
InChIKeyJWHDYBQMUQNNIA-HDABIFPFSA-N
XLogP1.57
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

(NZ)-N-[(11Z)-11-hydroxyimino-8-pentacyclo[5.4.0.02,6.03,10.05,9]undecanylidene]hydroxylamine
CID 6509136
(NE)-N-(11-hydroxyimino-3-tetracyclo[6.3.0.02,6.05,9]undecanylidene)hydroxylamine
CID 16238833
Pentacyclo[5.4.0.0~2,6~.0~3,10~.0~5,9~]undecane-8,11-dione dioxime
CID 5337700
Tetracyclo[6.3.0.0~2,6~.0~5,9~]undecane-3,11-dione dioxime
CID 5717975
4,10-Di(hydroxyimino)tetracyclo[6.3.0.0<2,6>.0<5,9>]undecane
CID 9589711
(NZ)-N-(11-hydroxyimino-3-tetracyclo[6.3.0.02,6.05,9]undecanylidene)hydroxylamine
CID 132467302
N-(11-hydroxyimino-8-pentacyclo[5.4.0.02,6.03,10.05,9]undecanylidene)hydroxylamine
CID 2831246
N-(11-hydroxyimino-3-tetracyclo[6.3.0.02,6.05,9]undecanylidene)hydroxylamine
CID 2831247
(NE)-N-[(11E)-11-hydroxyimino-3-tetracyclo[6.3.0.02,6.05,9]undecanylidene]hydroxylamine
CID 5749607
4,10-Di(hydroxyimino)pentacyclo[6.3.0.0<2,6>.0<3,11>.0<5,9>]undecane
CID 9614910
(NE)-N-[(1S,2S,5R,6S,8R,9S,11E)-11-hydroxyimino-3-tetracyclo[6.3.0.02,6.05,9]undecanylidene]hydroxylamine
CID 11892936
(NZ)-N-[(1S,2S,5S,6R,8S,9R,11Z)-11-hydroxyimino-3-tetracyclo[6.3.0.02,6.05,9]undecanylidene]hydroxylamine
CID 11914135

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(1S,2S,5S,6R,8S,9R,11Z)-11-hydroxyimino-3-tetracyclo[6.3.0.02,6.05,9]undecanylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(1S,2S,5S,6R,8S,9R,11Z)-11-hydroxyimino-3-tetracyclo[6.3.0.02,6.05,9]undecanylidene]hydroxylamine (CID 11903951) is (NE)-N-[(1S,2S,5S,6R,8S,9R,11Z)-11-hydroxyimino-3-tetracyclo[6.3.0.02,6.05,9]undecanylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(1S,2S,5S,6R,8S,9R,11Z)-11-hydroxyimino-3-tetracyclo[6.3.0.02,6.05,9]undecanylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(1S,2S,5S,6R,8S,9R,11Z)-11-hydroxyimino-3-tetracyclo[6.3.0.02,6.05,9]undecanylidene]hydroxylamine is O/N=C1/C[C@@H]2[C@@H]3C/C(=N\O)[C@H]4[C@@H]3C[C@@H]2[C@H]14.
What is the InChIKey of (NE)-N-[(1S,2S,5S,6R,8S,9R,11Z)-11-hydroxyimino-3-tetracyclo[6.3.0.02,6.05,9]undecanylidene]hydroxylamine?
The InChIKey is JWHDYBQMUQNNIA-HDABIFPFSA-N. The full InChI is InChI=1S/C11H14N2O2/c14-12-8-2-4-5-3-9(13-15)11-7(5)1-6(4)10(8)11/h4-7,10-11,14-15H,1-3H2/b12-8-,13-9+/t4-,5+,6+,7-,10-,11-/m1/s1.
What are the key properties of (NE)-N-[(1S,2S,5S,6R,8S,9R,11Z)-11-hydroxyimino-3-tetracyclo[6.3.0.02,6.05,9]undecanylidene]hydroxylamine?
(NE)-N-[(1S,2S,5S,6R,8S,9R,11Z)-11-hydroxyimino-3-tetracyclo[6.3.0.02,6.05,9]undecanylidene]hydroxylamine has a molecular weight of 206.24 g/mol, XLogP of 1.57, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(1S,2S,5S,6R,8S,9R,11Z)-11-hydroxyimino-3-tetracyclo[6.3.0.02,6.05,9]undecanylidene]hydroxylamine is sourced from PubChem (CID 11903951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).