2,2-bis(prop-2-enyl)-3-propyliminocyclohexan-1-one

C15H23NO — CID 11230042

IUPAC2,2-bis(prop-2-enyl)-3-propyliminocyclohexan-1-one
SMILESC=CCC1(CC=C)C(=O)CCC/C1=N\CCC
InChIInChI=1S/C15H23NO/c1-4-10-15(11-5-2)13(16-12-6-3)8-7-9-14(15)17/h4-5H,1-2,6-12H2,3H3/b16-13+
InChIKeyHBEVEFZPMSTMLE-DTQAZKPQSA-N
MW233.35 g/mol
LogP3.73
Rot. Bonds6

About 2,2-bis(prop-2-enyl)-3-propyliminocyclohexan-1-one

2,2-bis(prop-2-enyl)-3-propyliminocyclohexan-1-one (PubChem CID 11230042) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2,2-bis(prop-2-enyl)-3-propyliminocyclohexan-1-one.

Molecular Properties

Compound Name2,2-bis(prop-2-enyl)-3-propyliminocyclohexan-1-one
PubChem CID11230042
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2,2-bis(prop-2-enyl)-3-propyliminocyclohexan-1-one
SMILESC=CCC1(CC=C)C(=O)CCC/C1=N\CCC
InChIInChI=1S/C15H23NO/c1-4-10-15(11-5-2)13(16-12-6-3)8-7-9-14(15)17/h4-5H,1-2,6-12H2,3H3/b16-13+
InChIKeyHBEVEFZPMSTMLE-DTQAZKPQSA-N
XLogP3.73
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.73
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 2,2-bis(prop-2-enyl)-3-propyliminocyclohexan-1-one?
The IUPAC name of 2,2-bis(prop-2-enyl)-3-propyliminocyclohexan-1-one (CID 11230042) is 2,2-bis(prop-2-enyl)-3-propyliminocyclohexan-1-one.
What is the SMILES notation for 2,2-bis(prop-2-enyl)-3-propyliminocyclohexan-1-one?
The canonical SMILES for 2,2-bis(prop-2-enyl)-3-propyliminocyclohexan-1-one is C=CCC1(CC=C)C(=O)CCC/C1=N\CCC.
What is the InChIKey of 2,2-bis(prop-2-enyl)-3-propyliminocyclohexan-1-one?
The InChIKey is HBEVEFZPMSTMLE-DTQAZKPQSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-10-15(11-5-2)13(16-12-6-3)8-7-9-14(15)17/h4-5H,1-2,6-12H2,3H3/b16-13+.
What are the key properties of 2,2-bis(prop-2-enyl)-3-propyliminocyclohexan-1-one?
2,2-bis(prop-2-enyl)-3-propyliminocyclohexan-1-one has a molecular weight of 233.35 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(prop-2-enyl)-3-propyliminocyclohexan-1-one is sourced from PubChem (CID 11230042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).