1-cyclohexylidene-3-(dimethylamino)propan-2-one

C11H19NO — CID 69155860

IUPAC1-cyclohexylidene-3-(dimethylamino)propan-2-one
SMILESCN(C)CC(=O)C=C1CCCCC1
InChIInChI=1S/C11H19NO/c1-12(2)9-11(13)8-10-6-4-3-5-7-10/h8H,3-7,9H2,1-2H3
InChIKeyZBAPECYGRMPIFG-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.01
Rot. Bonds3

About 1-cyclohexylidene-3-(dimethylamino)propan-2-one

1-cyclohexylidene-3-(dimethylamino)propan-2-one (PubChem CID 69155860) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-cyclohexylidene-3-(dimethylamino)propan-2-one.

Molecular Properties

Compound Name1-cyclohexylidene-3-(dimethylamino)propan-2-one
PubChem CID69155860
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-cyclohexylidene-3-(dimethylamino)propan-2-one
SMILESCN(C)CC(=O)C=C1CCCCC1
InChIInChI=1S/C11H19NO/c1-12(2)9-11(13)8-10-6-4-3-5-7-10/h8H,3-7,9H2,1-2H3
InChIKeyZBAPECYGRMPIFG-UHFFFAOYSA-N
XLogP2.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylidene-3-(dimethylamino)propan-2-one?
The IUPAC name of 1-cyclohexylidene-3-(dimethylamino)propan-2-one (CID 69155860) is 1-cyclohexylidene-3-(dimethylamino)propan-2-one.
What is the SMILES notation for 1-cyclohexylidene-3-(dimethylamino)propan-2-one?
The canonical SMILES for 1-cyclohexylidene-3-(dimethylamino)propan-2-one is CN(C)CC(=O)C=C1CCCCC1.
What is the InChIKey of 1-cyclohexylidene-3-(dimethylamino)propan-2-one?
The InChIKey is ZBAPECYGRMPIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-12(2)9-11(13)8-10-6-4-3-5-7-10/h8H,3-7,9H2,1-2H3.
What are the key properties of 1-cyclohexylidene-3-(dimethylamino)propan-2-one?
1-cyclohexylidene-3-(dimethylamino)propan-2-one has a molecular weight of 181.28 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylidene-3-(dimethylamino)propan-2-one is sourced from PubChem (CID 69155860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).