(E)-1-(4-cyclohexylphenyl)-3-(dimethylamino)prop-2-en-1-one

C17H23NO — CID 1472918

IUPAC(E)-1-(4-cyclohexylphenyl)-3-(dimethylamino)prop-2-en-1-one
SMILESCN(C)/C=C/C(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C17H23NO/c1-18(2)13-12-17(19)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h8-14H,3-7H2,1-2H3/b13-12+
InChIKeyRNMRJYNSHZUWEE-OUKQBFOZSA-N
MW257.38 g/mol
LogP3.99
Rot. Bonds4

About (E)-1-(4-cyclohexylphenyl)-3-(dimethylamino)prop-2-en-1-one

(E)-1-(4-cyclohexylphenyl)-3-(dimethylamino)prop-2-en-1-one (PubChem CID 1472918) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is (E)-1-(4-cyclohexylphenyl)-3-(dimethylamino)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-cyclohexylphenyl)-3-(dimethylamino)prop-2-en-1-one
PubChem CID1472918
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name(E)-1-(4-cyclohexylphenyl)-3-(dimethylamino)prop-2-en-1-one
SMILESCN(C)/C=C/C(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C17H23NO/c1-18(2)13-12-17(19)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h8-14H,3-7H2,1-2H3/b13-12+
InChIKeyRNMRJYNSHZUWEE-OUKQBFOZSA-N
XLogP3.99
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 ≤ 53.99
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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Related Compounds

2-[4-[4-[3-(dimethylamino)prop-2-enoyl]phenyl]cyclohexyl]acetic acid
CID 69004624
(E)-1-(4-cyclohexylphenyl)-4-(4-methylpiperazin-1-yl)but-2-ene-1,4-dione
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(E)-1-(4-cyclohexylphenyl)-3-(3,5-dichlorophenyl)prop-2-en-1-one
CID 23508869
(Z)-1-[5-(4-cyclohexylbenzoyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-9-yl]-3-(dimethylamino)prop-2-en-1-one
CID 10162119
(E)-4-(4-cyclohexylphenyl)but-3-en-2-one
CID 124662300
2-[3-(4-cyclohexylphenyl)-3-oxoprop-1-enyl]benzoic acid
CID 4749941
3-(dimethylamino)-1-(4-phenylphenyl)prop-2-en-1-one
CID 737448
1-(4-cycloheptylphenyl)propan-1-one
CID 174630933
[3,5-bis(4-cyclohexylbenzoyl)phenyl]-(4-cyclohexylphenyl)methanone
CID 3766004
3-(dimethylamino)-1-pyridin-4-ylprop-2-en-1-one
CID 714531
(E)-3-(3-chloro-4-methoxyphenyl)-1-(4-cyclohexylphenyl)prop-2-en-1-one
CID 6054637
2-(4-cyclohexylphenyl)-2-oxoacetyl chloride
CID 11107786

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-cyclohexylphenyl)-3-(dimethylamino)prop-2-en-1-one?
The IUPAC name of (E)-1-(4-cyclohexylphenyl)-3-(dimethylamino)prop-2-en-1-one (CID 1472918) is (E)-1-(4-cyclohexylphenyl)-3-(dimethylamino)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-cyclohexylphenyl)-3-(dimethylamino)prop-2-en-1-one?
The canonical SMILES for (E)-1-(4-cyclohexylphenyl)-3-(dimethylamino)prop-2-en-1-one is CN(C)/C=C/C(=O)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of (E)-1-(4-cyclohexylphenyl)-3-(dimethylamino)prop-2-en-1-one?
The InChIKey is RNMRJYNSHZUWEE-OUKQBFOZSA-N. The full InChI is InChI=1S/C17H23NO/c1-18(2)13-12-17(19)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h8-14H,3-7H2,1-2H3/b13-12+.
What are the key properties of (E)-1-(4-cyclohexylphenyl)-3-(dimethylamino)prop-2-en-1-one?
(E)-1-(4-cyclohexylphenyl)-3-(dimethylamino)prop-2-en-1-one has a molecular weight of 257.38 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-cyclohexylphenyl)-3-(dimethylamino)prop-2-en-1-one is sourced from PubChem (CID 1472918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).