4-cyclohex-3-en-1-yl-N-methoxybut-3-en-2-imine

C11H17NO — CID 159158675

IUPAC4-cyclohex-3-en-1-yl-N-methoxybut-3-en-2-imine
SMILESCON=C(C)C=CC1CC=CCC1
InChIInChI=1S/C11H17NO/c1-10(12-13-2)8-9-11-6-4-3-5-7-11/h3-4,8-9,11H,5-7H2,1-2H3
InChIKeyKKFIXFSWQMFLKZ-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.92
Rot. Bonds3

About 4-cyclohex-3-en-1-yl-N-methoxybut-3-en-2-imine

4-cyclohex-3-en-1-yl-N-methoxybut-3-en-2-imine (PubChem CID 159158675) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4-cyclohex-3-en-1-yl-N-methoxybut-3-en-2-imine.

Molecular Properties

Compound Name4-cyclohex-3-en-1-yl-N-methoxybut-3-en-2-imine
PubChem CID159158675
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4-cyclohex-3-en-1-yl-N-methoxybut-3-en-2-imine
SMILESCON=C(C)C=CC1CC=CCC1
InChIInChI=1S/C11H17NO/c1-10(12-13-2)8-9-11-6-4-3-5-7-11/h3-4,8-9,11H,5-7H2,1-2H3
InChIKeyKKFIXFSWQMFLKZ-UHFFFAOYSA-N
XLogP2.92
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.92
H-Bond Donors ≤ 50
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohex-3-en-1-yl-N-methoxybut-3-en-2-imine?
The IUPAC name of 4-cyclohex-3-en-1-yl-N-methoxybut-3-en-2-imine (CID 159158675) is 4-cyclohex-3-en-1-yl-N-methoxybut-3-en-2-imine.
What is the SMILES notation for 4-cyclohex-3-en-1-yl-N-methoxybut-3-en-2-imine?
The canonical SMILES for 4-cyclohex-3-en-1-yl-N-methoxybut-3-en-2-imine is CON=C(C)C=CC1CC=CCC1.
What is the InChIKey of 4-cyclohex-3-en-1-yl-N-methoxybut-3-en-2-imine?
The InChIKey is KKFIXFSWQMFLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-10(12-13-2)8-9-11-6-4-3-5-7-11/h3-4,8-9,11H,5-7H2,1-2H3.
What are the key properties of 4-cyclohex-3-en-1-yl-N-methoxybut-3-en-2-imine?
4-cyclohex-3-en-1-yl-N-methoxybut-3-en-2-imine has a molecular weight of 179.26 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohex-3-en-1-yl-N-methoxybut-3-en-2-imine is sourced from PubChem (CID 159158675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).