(NE)-N-[(1S,2R,7S,8R)-3-tricyclo[6.2.1.02,7]undec-9-enylidene]hydroxylamine

C11H15NO — CID 89292817

IUPAC(NE)-N-[(1S,2R,7S,8R)-3-tricyclo[6.2.1.02,7]undec-9-enylidene]hydroxylamine
SMILESO/N=C1\CCC[C@@H]2[C@H]1[C@@H]1C=C[C@H]2C1
InChIInChI=1S/C11H15NO/c13-12-10-3-1-2-9-7-4-5-8(6-7)11(9)10/h4-5,7-9,11,13H,1-3,6H2/b12-10+/t7-,8+,9-,11+/m0/s1
InChIKeyWZJSMKMYKLYRTL-XQSURZQASA-N
MW177.25 g/mol
LogP2.44
Rot. Bonds

About (NE)-N-[(1S,2R,7S,8R)-3-tricyclo[6.2.1.02,7]undec-9-enylidene]hydroxylamine

(NE)-N-[(1S,2R,7S,8R)-3-tricyclo[6.2.1.02,7]undec-9-enylidene]hydroxylamine (PubChem CID 89292817) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (NE)-N-[(1S,2R,7S,8R)-3-tricyclo[6.2.1.02,7]undec-9-enylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(1S,2R,7S,8R)-3-tricyclo[6.2.1.02,7]undec-9-enylidene]hydroxylamine
PubChem CID89292817
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(NE)-N-[(1S,2R,7S,8R)-3-tricyclo[6.2.1.02,7]undec-9-enylidene]hydroxylamine
SMILESO/N=C1\CCC[C@@H]2[C@H]1[C@@H]1C=C[C@H]2C1
InChIInChI=1S/C11H15NO/c13-12-10-3-1-2-9-7-4-5-8(6-7)11(9)10/h4-5,7-9,11,13H,1-3,6H2/b12-10+/t7-,8+,9-,11+/m0/s1
InChIKeyWZJSMKMYKLYRTL-XQSURZQASA-N
XLogP2.44
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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,2R,7S,8R)-3-tricyclo[6.2.1.02,7]undec-9-enylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(1S,2R,7S,8R)-3-tricyclo[6.2.1.02,7]undec-9-enylidene]hydroxylamine (CID 89292817) is (NE)-N-[(1S,2R,7S,8R)-3-tricyclo[6.2.1.02,7]undec-9-enylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(1S,2R,7S,8R)-3-tricyclo[6.2.1.02,7]undec-9-enylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(1S,2R,7S,8R)-3-tricyclo[6.2.1.02,7]undec-9-enylidene]hydroxylamine is O/N=C1\CCC[C@@H]2[C@H]1[C@@H]1C=C[C@H]2C1.
What is the InChIKey of (NE)-N-[(1S,2R,7S,8R)-3-tricyclo[6.2.1.02,7]undec-9-enylidene]hydroxylamine?
The InChIKey is WZJSMKMYKLYRTL-XQSURZQASA-N. The full InChI is InChI=1S/C11H15NO/c13-12-10-3-1-2-9-7-4-5-8(6-7)11(9)10/h4-5,7-9,11,13H,1-3,6H2/b12-10+/t7-,8+,9-,11+/m0/s1.
What are the key properties of (NE)-N-[(1S,2R,7S,8R)-3-tricyclo[6.2.1.02,7]undec-9-enylidene]hydroxylamine?
(NE)-N-[(1S,2R,7S,8R)-3-tricyclo[6.2.1.02,7]undec-9-enylidene]hydroxylamine has a molecular weight of 177.25 g/mol, XLogP of 2.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(1S,2R,7S,8R)-3-tricyclo[6.2.1.02,7]undec-9-enylidene]hydroxylamine is sourced from PubChem (CID 89292817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).