(1Z)-4-[(dimethylamino)methyl]-1,2-diphenylpenta-1,4-dien-3-one

C20H21NO — CID 159016802

IUPAC(1Z)-4-[(dimethylamino)methyl]-1,2-diphenylpenta-1,4-dien-3-one
SMILESC=C(CN(C)C)C(=O)/C(=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C20H21NO/c1-16(15-21(2)3)20(22)19(18-12-8-5-9-13-18)14-17-10-6-4-7-11-17/h4-14H,1,15H2,2-3H3/b19-14-
InChIKeyXWRZDLRIQUVBFW-RGEXLXHISA-N
MW291.39 g/mol
LogP3.91
Rot. Bonds6

About (1Z)-4-[(dimethylamino)methyl]-1,2-diphenylpenta-1,4-dien-3-one

(1Z)-4-[(dimethylamino)methyl]-1,2-diphenylpenta-1,4-dien-3-one (PubChem CID 159016802) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is (1Z)-4-[(dimethylamino)methyl]-1,2-diphenylpenta-1,4-dien-3-one.

Molecular Properties

Compound Name(1Z)-4-[(dimethylamino)methyl]-1,2-diphenylpenta-1,4-dien-3-one
PubChem CID159016802
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name(1Z)-4-[(dimethylamino)methyl]-1,2-diphenylpenta-1,4-dien-3-one
SMILESC=C(CN(C)C)C(=O)/C(=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C20H21NO/c1-16(15-21(2)3)20(22)19(18-12-8-5-9-13-18)14-17-10-6-4-7-11-17/h4-14H,1,15H2,2-3H3/b19-14-
InChIKeyXWRZDLRIQUVBFW-RGEXLXHISA-N
XLogP3.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1E)-4-[(dimethylamino)methyl]-1,2-diphenylpenta-1,4-dien-3-one
CID 159016803
(1Z)-4-[(dimethylamino)methyl]-1-(4-methoxyphenyl)-2-phenylpenta-1,4-dien-3-one
CID 160883905
(1E)-1-(3-chlorophenyl)-4-[(dimethylamino)methyl]-2-phenylpenta-1,4-dien-3-one
CID 160883901
(1E)-1-(3-bromophenyl)-4-[(dimethylamino)methyl]-2-phenylpenta-1,4-dien-3-one
CID 160784216
(1E)-4-[[benzyl(methyl)amino]methyl]-1,2-diphenylpenta-1,4-dien-3-one;hydrochloride
CID 162328423
4-[(dimethylamino)methyl]-1-(furan-2-yl)-2-phenylpenta-1,4-dien-3-one
CID 159016801
(1Z)-4-[(dimethylamino)methyl]-1,2-diphenylpenta-1,4-dien-3-one;(1E)-4-[(dimethylamino)methyl]-1,2-diphenylpenta-1,4-dien-3-one;4-[(dimethylamino)methyl]-1-(furan-2-yl)-2-phenylpenta-1,4-dien-3-one;(1Z)-4-[(dimethylamino)methyl]-1-(4-methylphenyl)-2-phenylpenta-1,4-dien-3-one;bis((1E)-4-[(dimethylamino)methyl]-1-(4-methylphenyl)-2-phenylpenta-1,4-dien-3-one);(1Z)-4-[(dimethylamino)methyl]-2-phenyl-1-[4-(trifluoromethyl)phenyl]penta-1,4-dien-3-one;heptahydrochloride
CID 159016800
(1E)-4-[[benzyl(methyl)amino]methyl]-1-(3-methylphenyl)-2-phenylpenta-1,4-dien-3-one
CID 161334450
1,5-bis[4-(dimethylamino)phenyl]-2,4-diphenylpenta-1,4-dien-3-one
CID 66673921
(E)-6-methyl-1,2-diphenylhept-1-ene-3,4-dione
CID 102352907
(1Z)-4-[[benzyl(methyl)amino]methyl]-1-(3-bromophenyl)-2-phenylpenta-1,4-dien-3-one;(1E)-4-[[benzyl(methyl)amino]methyl]-1-(3-bromophenyl)-2-phenylpenta-1,4-dien-3-one;(1E)-4-[[benzyl(methyl)amino]methyl]-1-(3-fluorophenyl)-2-phenylpenta-1,4-dien-3-one;(1Z)-4-[[benzyl(methyl)amino]methyl]-1-(3-methylphenyl)-2-phenylpenta-1,4-dien-3-one;tetrahydrochloride
CID 165077538
(Z)-2,3-diphenylprop-2-enoyl chloride
CID 12558834

Frequently Asked Questions

What is the IUPAC name of (1Z)-4-[(dimethylamino)methyl]-1,2-diphenylpenta-1,4-dien-3-one?
The IUPAC name of (1Z)-4-[(dimethylamino)methyl]-1,2-diphenylpenta-1,4-dien-3-one (CID 159016802) is (1Z)-4-[(dimethylamino)methyl]-1,2-diphenylpenta-1,4-dien-3-one.
What is the SMILES notation for (1Z)-4-[(dimethylamino)methyl]-1,2-diphenylpenta-1,4-dien-3-one?
The canonical SMILES for (1Z)-4-[(dimethylamino)methyl]-1,2-diphenylpenta-1,4-dien-3-one is C=C(CN(C)C)C(=O)/C(=C\c1ccccc1)c1ccccc1.
What is the InChIKey of (1Z)-4-[(dimethylamino)methyl]-1,2-diphenylpenta-1,4-dien-3-one?
The InChIKey is XWRZDLRIQUVBFW-RGEXLXHISA-N. The full InChI is InChI=1S/C20H21NO/c1-16(15-21(2)3)20(22)19(18-12-8-5-9-13-18)14-17-10-6-4-7-11-17/h4-14H,1,15H2,2-3H3/b19-14-.
What are the key properties of (1Z)-4-[(dimethylamino)methyl]-1,2-diphenylpenta-1,4-dien-3-one?
(1Z)-4-[(dimethylamino)methyl]-1,2-diphenylpenta-1,4-dien-3-one has a molecular weight of 291.39 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-4-[(dimethylamino)methyl]-1,2-diphenylpenta-1,4-dien-3-one is sourced from PubChem (CID 159016802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).