(NE)-N-[(1S,2R,6S,7R)-3-tricyclo[5.2.1.02,6]dec-8-enylidene]hydroxylamine

C10H13NO — CID 10920847

IUPAC(NE)-N-[(1S,2R,6S,7R)-3-tricyclo[5.2.1.02,6]dec-8-enylidene]hydroxylamine
SMILESO/N=C1\CC[C@@H]2[C@H]1[C@@H]1C=C[C@H]2C1
InChIInChI=1S/C10H13NO/c12-11-9-4-3-8-6-1-2-7(5-6)10(8)9/h1-2,6-8,10,12H,3-5H2/b11-9+/t6-,7+,8-,10+/m0/s1
InChIKeyJESXZAXCMKXGHT-GMEJJSGTSA-N
MW163.22 g/mol
LogP2.05
Rot. Bonds

About (NE)-N-[(1S,2R,6S,7R)-3-tricyclo[5.2.1.02,6]dec-8-enylidene]hydroxylamine

(NE)-N-[(1S,2R,6S,7R)-3-tricyclo[5.2.1.02,6]dec-8-enylidene]hydroxylamine (PubChem CID 10920847) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is (NE)-N-[(1S,2R,6S,7R)-3-tricyclo[5.2.1.02,6]dec-8-enylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(1S,2R,6S,7R)-3-tricyclo[5.2.1.02,6]dec-8-enylidene]hydroxylamine
PubChem CID10920847
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name(NE)-N-[(1S,2R,6S,7R)-3-tricyclo[5.2.1.02,6]dec-8-enylidene]hydroxylamine
SMILESO/N=C1\CC[C@@H]2[C@H]1[C@@H]1C=C[C@H]2C1
InChIInChI=1S/C10H13NO/c12-11-9-4-3-8-6-1-2-7(5-6)10(8)9/h1-2,6-8,10,12H,3-5H2/b11-9+/t6-,7+,8-,10+/m0/s1
InChIKeyJESXZAXCMKXGHT-GMEJJSGTSA-N
XLogP2.05
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.05
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,6S,7R)-3-tricyclo[5.2.1.02,6]dec-8-enylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(1S,2R,6S,7R)-3-tricyclo[5.2.1.02,6]dec-8-enylidene]hydroxylamine (CID 10920847) is (NE)-N-[(1S,2R,6S,7R)-3-tricyclo[5.2.1.02,6]dec-8-enylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(1S,2R,6S,7R)-3-tricyclo[5.2.1.02,6]dec-8-enylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(1S,2R,6S,7R)-3-tricyclo[5.2.1.02,6]dec-8-enylidene]hydroxylamine is O/N=C1\CC[C@@H]2[C@H]1[C@@H]1C=C[C@H]2C1.
What is the InChIKey of (NE)-N-[(1S,2R,6S,7R)-3-tricyclo[5.2.1.02,6]dec-8-enylidene]hydroxylamine?
The InChIKey is JESXZAXCMKXGHT-GMEJJSGTSA-N. The full InChI is InChI=1S/C10H13NO/c12-11-9-4-3-8-6-1-2-7(5-6)10(8)9/h1-2,6-8,10,12H,3-5H2/b11-9+/t6-,7+,8-,10+/m0/s1.
What are the key properties of (NE)-N-[(1S,2R,6S,7R)-3-tricyclo[5.2.1.02,6]dec-8-enylidene]hydroxylamine?
(NE)-N-[(1S,2R,6S,7R)-3-tricyclo[5.2.1.02,6]dec-8-enylidene]hydroxylamine has a molecular weight of 163.22 g/mol, XLogP of 2.05, 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,6S,7R)-3-tricyclo[5.2.1.02,6]dec-8-enylidene]hydroxylamine is sourced from PubChem (CID 10920847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).