2-prop-2-enyl-3-propyliminocyclohexan-1-one

C12H19NO — CID 11424099

IUPAC2-prop-2-enyl-3-propyliminocyclohexan-1-one
SMILESC=CCC1C(=O)CCC/C1=N\CCC
InChIInChI=1S/C12H19NO/c1-3-6-10-11(13-9-4-2)7-5-8-12(10)14/h3,10H,1,4-9H2,2H3/b13-11+
InChIKeyMRLMZOWMRNDBOF-ACCUITESSA-N
MW193.29 g/mol
LogP2.78
Rot. Bonds4

About 2-prop-2-enyl-3-propyliminocyclohexan-1-one

2-prop-2-enyl-3-propyliminocyclohexan-1-one (PubChem CID 11424099) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-prop-2-enyl-3-propyliminocyclohexan-1-one.

Molecular Properties

Compound Name2-prop-2-enyl-3-propyliminocyclohexan-1-one
PubChem CID11424099
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-prop-2-enyl-3-propyliminocyclohexan-1-one
SMILESC=CCC1C(=O)CCC/C1=N\CCC
InChIInChI=1S/C12H19NO/c1-3-6-10-11(13-9-4-2)7-5-8-12(10)14/h3,10H,1,4-9H2,2H3/b13-11+
InChIKeyMRLMZOWMRNDBOF-ACCUITESSA-N
XLogP2.78
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.78
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enyl-3-propyliminocyclohexan-1-one?
The IUPAC name of 2-prop-2-enyl-3-propyliminocyclohexan-1-one (CID 11424099) is 2-prop-2-enyl-3-propyliminocyclohexan-1-one.
What is the SMILES notation for 2-prop-2-enyl-3-propyliminocyclohexan-1-one?
The canonical SMILES for 2-prop-2-enyl-3-propyliminocyclohexan-1-one is C=CCC1C(=O)CCC/C1=N\CCC.
What is the InChIKey of 2-prop-2-enyl-3-propyliminocyclohexan-1-one?
The InChIKey is MRLMZOWMRNDBOF-ACCUITESSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-6-10-11(13-9-4-2)7-5-8-12(10)14/h3,10H,1,4-9H2,2H3/b13-11+.
What are the key properties of 2-prop-2-enyl-3-propyliminocyclohexan-1-one?
2-prop-2-enyl-3-propyliminocyclohexan-1-one has a molecular weight of 193.29 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-3-propyliminocyclohexan-1-one is sourced from PubChem (CID 11424099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).