(E)-N-propan-2-ylhex-2-en-1-imine oxide

C9H17NO — CID 170783298

IUPAC(E)-N-propan-2-ylhex-2-en-1-imine oxide
SMILESCCC/C=C/C=[N+](\[O-])C(C)C
InChIInChI=1S/C9H17NO/c1-4-5-6-7-8-10(11)9(2)3/h6-9H,4-5H2,1-3H3/b7-6+,10-8-
InChIKeyHHQZOHSKCGUITP-QDJLDCPTSA-N
MW155.24 g/mol
LogP2.33
Rot. Bonds4

About (E)-N-propan-2-ylhex-2-en-1-imine oxide

(E)-N-propan-2-ylhex-2-en-1-imine oxide (PubChem CID 170783298) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (E)-N-propan-2-ylhex-2-en-1-imine oxide.

Molecular Properties

Compound Name(E)-N-propan-2-ylhex-2-en-1-imine oxide
PubChem CID170783298
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(E)-N-propan-2-ylhex-2-en-1-imine oxide
SMILESCCC/C=C/C=[N+](\[O-])C(C)C
InChIInChI=1S/C9H17NO/c1-4-5-6-7-8-10(11)9(2)3/h6-9H,4-5H2,1-3H3/b7-6+,10-8-
InChIKeyHHQZOHSKCGUITP-QDJLDCPTSA-N
XLogP2.33
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-propan-2-ylhex-2-en-1-imine oxide?
The IUPAC name of (E)-N-propan-2-ylhex-2-en-1-imine oxide (CID 170783298) is (E)-N-propan-2-ylhex-2-en-1-imine oxide.
What is the SMILES notation for (E)-N-propan-2-ylhex-2-en-1-imine oxide?
The canonical SMILES for (E)-N-propan-2-ylhex-2-en-1-imine oxide is CCC/C=C/C=[N+](\[O-])C(C)C.
What is the InChIKey of (E)-N-propan-2-ylhex-2-en-1-imine oxide?
The InChIKey is HHQZOHSKCGUITP-QDJLDCPTSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-5-6-7-8-10(11)9(2)3/h6-9H,4-5H2,1-3H3/b7-6+,10-8-.
What are the key properties of (E)-N-propan-2-ylhex-2-en-1-imine oxide?
(E)-N-propan-2-ylhex-2-en-1-imine oxide has a molecular weight of 155.24 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-propan-2-ylhex-2-en-1-imine oxide is sourced from PubChem (CID 170783298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).