(E)-N-cyclohexylbut-2-en-1-imine oxide

C10H17NO — CID 91998766

IUPAC(E)-N-cyclohexylbut-2-en-1-imine oxide
SMILESC/C=C/C=[N+]([O-])C1CCCCC1
InChIInChI=1S/C10H17NO/c1-2-3-9-11(12)10-7-5-4-6-8-10/h2-3,9-10H,4-8H2,1H3/b3-2+,11-9?
InChIKeyKBBCCYWHYOHEBN-ZTHQVDJGSA-N
MW167.25 g/mol
LogP2.48
Rot. Bonds2

About (E)-N-cyclohexylbut-2-en-1-imine oxide

(E)-N-cyclohexylbut-2-en-1-imine oxide (PubChem CID 91998766) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (E)-N-cyclohexylbut-2-en-1-imine oxide.

Molecular Properties

Compound Name(E)-N-cyclohexylbut-2-en-1-imine oxide
PubChem CID91998766
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(E)-N-cyclohexylbut-2-en-1-imine oxide
SMILESC/C=C/C=[N+]([O-])C1CCCCC1
InChIInChI=1S/C10H17NO/c1-2-3-9-11(12)10-7-5-4-6-8-10/h2-3,9-10H,4-8H2,1H3/b3-2+,11-9?
InChIKeyKBBCCYWHYOHEBN-ZTHQVDJGSA-N
XLogP2.48
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.48
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-cyclohexylbut-2-en-1-imine oxide?
The IUPAC name of (E)-N-cyclohexylbut-2-en-1-imine oxide (CID 91998766) is (E)-N-cyclohexylbut-2-en-1-imine oxide.
What is the SMILES notation for (E)-N-cyclohexylbut-2-en-1-imine oxide?
The canonical SMILES for (E)-N-cyclohexylbut-2-en-1-imine oxide is C/C=C/C=[N+]([O-])C1CCCCC1.
What is the InChIKey of (E)-N-cyclohexylbut-2-en-1-imine oxide?
The InChIKey is KBBCCYWHYOHEBN-ZTHQVDJGSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-3-9-11(12)10-7-5-4-6-8-10/h2-3,9-10H,4-8H2,1H3/b3-2+,11-9?.
What are the key properties of (E)-N-cyclohexylbut-2-en-1-imine oxide?
(E)-N-cyclohexylbut-2-en-1-imine oxide has a molecular weight of 167.25 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclohexylbut-2-en-1-imine oxide is sourced from PubChem (CID 91998766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).