(NE)-N-(3-prop-2-enyl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine

C10H15NO — CID 14134642

IUPAC(NE)-N-(3-prop-2-enyl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine
SMILESC=CCC1/C(=N/O)C2CCC1C2
InChIInChI=1S/C10H15NO/c1-2-3-9-7-4-5-8(6-7)10(9)11-12/h2,7-9,12H,1,3-6H2/b11-10+
InChIKeyJWUDENYNZUPLMY-ZHACJKMWSA-N
MW165.24 g/mol
LogP2.44
Rot. Bonds2

About (NE)-N-(3-prop-2-enyl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine

(NE)-N-(3-prop-2-enyl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine (PubChem CID 14134642) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (NE)-N-(3-prop-2-enyl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(3-prop-2-enyl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine
PubChem CID14134642
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(NE)-N-(3-prop-2-enyl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine
SMILESC=CCC1/C(=N/O)C2CCC1C2
InChIInChI=1S/C10H15NO/c1-2-3-9-7-4-5-8(6-7)10(9)11-12/h2,7-9,12H,1,3-6H2/b11-10+
InChIKeyJWUDENYNZUPLMY-ZHACJKMWSA-N
XLogP2.44
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
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-(3-prop-2-enyl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine?
The IUPAC name of (NE)-N-(3-prop-2-enyl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine (CID 14134642) is (NE)-N-(3-prop-2-enyl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(3-prop-2-enyl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(3-prop-2-enyl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine is C=CCC1/C(=N/O)C2CCC1C2.
What is the InChIKey of (NE)-N-(3-prop-2-enyl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine?
The InChIKey is JWUDENYNZUPLMY-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-3-9-7-4-5-8(6-7)10(9)11-12/h2,7-9,12H,1,3-6H2/b11-10+.
What are the key properties of (NE)-N-(3-prop-2-enyl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine?
(NE)-N-(3-prop-2-enyl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine has a molecular weight of 165.24 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(3-prop-2-enyl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine is sourced from PubChem (CID 14134642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).