1-[4-(dimethylamino)phenyl]-5-phenylpent-2-en-4-yn-1-one

C19H17NO — CID 134824115

IUPAC1-[4-(dimethylamino)phenyl]-5-phenylpent-2-en-4-yn-1-one
SMILESCN(C)c1ccc(C(=O)C=CC#Cc2ccccc2)cc1
InChIInChI=1S/C19H17NO/c1-20(2)18-14-12-17(13-15-18)19(21)11-7-6-10-16-8-4-3-5-9-16/h3-5,7-9,11-15H,1-2H3
InChIKeyVMMBMQHOWFEREU-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.54
Rot. Bonds3

About 1-[4-(dimethylamino)phenyl]-5-phenylpent-2-en-4-yn-1-one

1-[4-(dimethylamino)phenyl]-5-phenylpent-2-en-4-yn-1-one (PubChem CID 134824115) has the molecular formula C19H17NO and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-5-phenylpent-2-en-4-yn-1-one.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-5-phenylpent-2-en-4-yn-1-one
PubChem CID134824115
Molecular FormulaC19H17NO
Molecular Weight275.35 g/mol
Exact Mass275.13
IUPAC Name1-[4-(dimethylamino)phenyl]-5-phenylpent-2-en-4-yn-1-one
SMILESCN(C)c1ccc(C(=O)C=CC#Cc2ccccc2)cc1
InChIInChI=1S/C19H17NO/c1-20(2)18-14-12-17(13-15-18)19(21)11-7-6-10-16-8-4-3-5-9-16/h3-5,7-9,11-15H,1-2H3
InChIKeyVMMBMQHOWFEREU-UHFFFAOYSA-N
XLogP3.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-[4-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one
CID 5356057
(E)-N-methyl-5-phenylpent-2-en-4-ynamide
CID 166437906
(E)-1-(2-bromophenyl)-5-phenylpent-2-en-4-yn-1-one
CID 122385866
[4-(dimethylamino)phenyl]-phenylmethanone
CID 10737
(Z)-3-amino-1-[4-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one
CID 102206203
tert-butyl (E)-5-phenylpent-2-en-4-ynoate
CID 102425562
3-[4-(dimethylamino)-2-hydroxyphenyl]-1-phenylprop-2-en-1-one
CID 172832773
3-acetyl-1-[4-(dimethylamino)phenyl]pent-2-ene-1,4-dione
CID 13295314
(E)-1-phenyldec-2-en-4-yn-1-one
CID 45112533
1-[4-(dimethylamino)phenyl]-3-(3-methylphenyl)prop-2-en-1-one
CID 54137742
(E)-3-[4-(dimethylamino)phenyl]-1,5-diphenylpent-2-ene-1,5-dione
CID 177497438
1-(4-acetylphenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one
CID 54081222

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-5-phenylpent-2-en-4-yn-1-one?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-5-phenylpent-2-en-4-yn-1-one (CID 134824115) is 1-[4-(dimethylamino)phenyl]-5-phenylpent-2-en-4-yn-1-one.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-5-phenylpent-2-en-4-yn-1-one?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-5-phenylpent-2-en-4-yn-1-one is CN(C)c1ccc(C(=O)C=CC#Cc2ccccc2)cc1.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-5-phenylpent-2-en-4-yn-1-one?
The InChIKey is VMMBMQHOWFEREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO/c1-20(2)18-14-12-17(13-15-18)19(21)11-7-6-10-16-8-4-3-5-9-16/h3-5,7-9,11-15H,1-2H3.
What are the key properties of 1-[4-(dimethylamino)phenyl]-5-phenylpent-2-en-4-yn-1-one?
1-[4-(dimethylamino)phenyl]-5-phenylpent-2-en-4-yn-1-one has a molecular weight of 275.35 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-5-phenylpent-2-en-4-yn-1-one is sourced from PubChem (CID 134824115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).