N-(6-ethenyl-2-adamantylidene)hydroxylamine

C12H17NO — CID 87326710

IUPACN-(6-ethenyl-2-adamantylidene)hydroxylamine
SMILESC=CC1C2CC3CC1CC(C2)C3=NO
InChIInChI=1S/C12H17NO/c1-2-11-7-3-9-5-8(11)6-10(4-7)12(9)13-14/h2,7-11,14H,1,3-6H2/b13-12-
InChIKeyCTYCTAZEESCJEC-SEYXRHQNSA-N
MW191.27 g/mol
LogP2.68
Rot. Bonds1

About N-(6-ethenyl-2-adamantylidene)hydroxylamine

N-(6-ethenyl-2-adamantylidene)hydroxylamine (PubChem CID 87326710) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-(6-ethenyl-2-adamantylidene)hydroxylamine.

Molecular Properties

Compound NameN-(6-ethenyl-2-adamantylidene)hydroxylamine
PubChem CID87326710
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-(6-ethenyl-2-adamantylidene)hydroxylamine
SMILESC=CC1C2CC3CC1CC(C2)C3=NO
InChIInChI=1S/C12H17NO/c1-2-11-7-3-9-5-8(11)6-10(4-7)12(9)13-14/h2,7-11,14H,1,3-6H2/b13-12-
InChIKeyCTYCTAZEESCJEC-SEYXRHQNSA-N
XLogP2.68
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.68
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 N-(6-ethenyl-2-adamantylidene)hydroxylamine?
The IUPAC name of N-(6-ethenyl-2-adamantylidene)hydroxylamine (CID 87326710) is N-(6-ethenyl-2-adamantylidene)hydroxylamine.
What is the SMILES notation for N-(6-ethenyl-2-adamantylidene)hydroxylamine?
The canonical SMILES for N-(6-ethenyl-2-adamantylidene)hydroxylamine is C=CC1C2CC3CC1CC(C2)C3=NO.
What is the InChIKey of N-(6-ethenyl-2-adamantylidene)hydroxylamine?
The InChIKey is CTYCTAZEESCJEC-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H17NO/c1-2-11-7-3-9-5-8(11)6-10(4-7)12(9)13-14/h2,7-11,14H,1,3-6H2/b13-12-.
What are the key properties of N-(6-ethenyl-2-adamantylidene)hydroxylamine?
N-(6-ethenyl-2-adamantylidene)hydroxylamine has a molecular weight of 191.27 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethenyl-2-adamantylidene)hydroxylamine is sourced from PubChem (CID 87326710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).