1-cyclohexyl-3-[4-(dimethylamino)phenyl]prop-2-en-1-one

C17H23NO — CID 54338045

IUPAC1-cyclohexyl-3-[4-(dimethylamino)phenyl]prop-2-en-1-one
SMILESCN(C)c1ccc(C=CC(=O)C2CCCCC2)cc1
InChIInChI=1S/C17H23NO/c1-18(2)16-11-8-14(9-12-16)10-13-17(19)15-6-4-3-5-7-15/h8-13,15H,3-7H2,1-2H3
InChIKeyTWXRIBSVEPHZQV-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.92
Rot. Bonds4

About 1-cyclohexyl-3-[4-(dimethylamino)phenyl]prop-2-en-1-one

1-cyclohexyl-3-[4-(dimethylamino)phenyl]prop-2-en-1-one (PubChem CID 54338045) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-cyclohexyl-3-[4-(dimethylamino)phenyl]prop-2-en-1-one.

Molecular Properties

Compound Name1-cyclohexyl-3-[4-(dimethylamino)phenyl]prop-2-en-1-one
PubChem CID54338045
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name1-cyclohexyl-3-[4-(dimethylamino)phenyl]prop-2-en-1-one
SMILESCN(C)c1ccc(C=CC(=O)C2CCCCC2)cc1
InChIInChI=1S/C17H23NO/c1-18(2)16-11-8-14(9-12-16)10-13-17(19)15-6-4-3-5-7-15/h8-13,15H,3-7H2,1-2H3
InChIKeyTWXRIBSVEPHZQV-UHFFFAOYSA-N
XLogP3.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(4-bromophenyl)-1-cyclohexylprop-2-en-1-one
CID 4000745
4-[(E)-3-cyclohexyl-3-oxoprop-1-enyl]benzoic acid
CID 9028454
(Z)-N-cycloheptyl-3-[4-(dimethylamino)phenyl]prop-2-enamide
CID 19167042
(Z)-3-[4-(dimethylamino)phenyl]-1-pyrrolidin-1-ylprop-2-en-1-one
CID 97305646
(E)-3-[4-(dimethylamino)phenyl]-1-(4-hydroxypiperidin-1-yl)prop-2-en-1-one
CID 43415977
(E)-3-[4-(dimethylamino)phenyl]-N-hydroxyprop-2-enamide
CID 11956153
1-cyclopropyl-3-(4-methylsulfanylphenyl)prop-2-en-1-one
CID 162468006
N-[4-[(E)-3-cyclopropyl-3-oxoprop-1-enyl]phenyl]acetamide
CID 23455779
1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]pyrrolidine-2-carboxylic acid
CID 43355566
3-[4-(dimethylamino)phenyl]prop-2-enethioamide
CID 71356638
3-[4-(dimethylamino)phenyl]-1-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 90897952
(E)-3-[4-(dimethylamino)phenyl]-1-(4-piperidin-1-ylsulfonylphenyl)prop-2-en-1-one
CID 7954637

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[4-(dimethylamino)phenyl]prop-2-en-1-one?
The IUPAC name of 1-cyclohexyl-3-[4-(dimethylamino)phenyl]prop-2-en-1-one (CID 54338045) is 1-cyclohexyl-3-[4-(dimethylamino)phenyl]prop-2-en-1-one.
What is the SMILES notation for 1-cyclohexyl-3-[4-(dimethylamino)phenyl]prop-2-en-1-one?
The canonical SMILES for 1-cyclohexyl-3-[4-(dimethylamino)phenyl]prop-2-en-1-one is CN(C)c1ccc(C=CC(=O)C2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-3-[4-(dimethylamino)phenyl]prop-2-en-1-one?
The InChIKey is TWXRIBSVEPHZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-18(2)16-11-8-14(9-12-16)10-13-17(19)15-6-4-3-5-7-15/h8-13,15H,3-7H2,1-2H3.
What are the key properties of 1-cyclohexyl-3-[4-(dimethylamino)phenyl]prop-2-en-1-one?
1-cyclohexyl-3-[4-(dimethylamino)phenyl]prop-2-en-1-one has a molecular weight of 257.38 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[4-(dimethylamino)phenyl]prop-2-en-1-one is sourced from PubChem (CID 54338045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).