O-[(E)-3-methyl-5-[(1S)-1,3,3-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]pent-2-enyl]hydroxylamine

C15H27NO2 — CID 142227195

IUPACO-[(E)-3-methyl-5-[(1S)-1,3,3-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]pent-2-enyl]hydroxylamine
SMILESC/C(=C\CON)CCC1C(C)(C)C2CC[C@]1(C)O2
InChIInChI=1S/C15H27NO2/c1-11(8-10-17-16)5-6-12-14(2,3)13-7-9-15(12,4)18-13/h8,12-13H,5-7,9-10,16H2,1-4H3/b11-8+/t12?,13?,15-/m0/s1
InChIKeyWHVUQBINUOXYIV-IYPXIDLGSA-N
MW253.39 g/mol
LogP3.20
Rot. Bonds5

About O-[(E)-3-methyl-5-[(1S)-1,3,3-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]pent-2-enyl]hydroxylamine

O-[(E)-3-methyl-5-[(1S)-1,3,3-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]pent-2-enyl]hydroxylamine (PubChem CID 142227195) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is O-[(E)-3-methyl-5-[(1S)-1,3,3-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]pent-2-enyl]hydroxylamine.

Molecular Properties

Compound NameO-[(E)-3-methyl-5-[(1S)-1,3,3-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]pent-2-enyl]hydroxylamine
PubChem CID142227195
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC NameO-[(E)-3-methyl-5-[(1S)-1,3,3-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]pent-2-enyl]hydroxylamine
SMILESC/C(=C\CON)CCC1C(C)(C)C2CC[C@]1(C)O2
InChIInChI=1S/C15H27NO2/c1-11(8-10-17-16)5-6-12-14(2,3)13-7-9-15(12,4)18-13/h8,12-13H,5-7,9-10,16H2,1-4H3/b11-8+/t12?,13?,15-/m0/s1
InChIKeyWHVUQBINUOXYIV-IYPXIDLGSA-N
XLogP3.20
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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 O-[(E)-3-methyl-5-[(1S)-1,3,3-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]pent-2-enyl]hydroxylamine?
The IUPAC name of O-[(E)-3-methyl-5-[(1S)-1,3,3-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]pent-2-enyl]hydroxylamine (CID 142227195) is O-[(E)-3-methyl-5-[(1S)-1,3,3-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]pent-2-enyl]hydroxylamine.
What is the SMILES notation for O-[(E)-3-methyl-5-[(1S)-1,3,3-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]pent-2-enyl]hydroxylamine?
The canonical SMILES for O-[(E)-3-methyl-5-[(1S)-1,3,3-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]pent-2-enyl]hydroxylamine is C/C(=C\CON)CCC1C(C)(C)C2CC[C@]1(C)O2.
What is the InChIKey of O-[(E)-3-methyl-5-[(1S)-1,3,3-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]pent-2-enyl]hydroxylamine?
The InChIKey is WHVUQBINUOXYIV-IYPXIDLGSA-N. The full InChI is InChI=1S/C15H27NO2/c1-11(8-10-17-16)5-6-12-14(2,3)13-7-9-15(12,4)18-13/h8,12-13H,5-7,9-10,16H2,1-4H3/b11-8+/t12?,13?,15-/m0/s1.
What are the key properties of O-[(E)-3-methyl-5-[(1S)-1,3,3-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]pent-2-enyl]hydroxylamine?
O-[(E)-3-methyl-5-[(1S)-1,3,3-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]pent-2-enyl]hydroxylamine has a molecular weight of 253.39 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(E)-3-methyl-5-[(1S)-1,3,3-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]pent-2-enyl]hydroxylamine is sourced from PubChem (CID 142227195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).