1-[4-(diethylamino)phenyl]but-2-en-1-one

C14H19NO — CID 162367045

IUPAC1-[4-(diethylamino)phenyl]but-2-en-1-one
SMILESCC=CC(=O)c1ccc(N(CC)CC)cc1
InChIInChI=1S/C14H19NO/c1-4-7-14(16)12-8-10-13(11-9-12)15(5-2)6-3/h4,7-11H,5-6H2,1-3H3
InChIKeyLSTIEHCCKCVLAT-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.29
Rot. Bonds5

About 1-[4-(diethylamino)phenyl]but-2-en-1-one

1-[4-(diethylamino)phenyl]but-2-en-1-one (PubChem CID 162367045) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-[4-(diethylamino)phenyl]but-2-en-1-one.

Molecular Properties

Compound Name1-[4-(diethylamino)phenyl]but-2-en-1-one
PubChem CID162367045
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-[4-(diethylamino)phenyl]but-2-en-1-one
SMILESCC=CC(=O)c1ccc(N(CC)CC)cc1
InChIInChI=1S/C14H19NO/c1-4-7-14(16)12-8-10-13(11-9-12)15(5-2)6-3/h4,7-11H,5-6H2,1-3H3
InChIKeyLSTIEHCCKCVLAT-UHFFFAOYSA-N
XLogP3.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.29
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

1-[4-(diethylamino)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
CID 86039133
(Z)-3-[4-(diethylamino)phenyl]-1-(4-fluorophenyl)prop-2-en-1-one
CID 122707390
(E)-3-[4-[(E)-3-[4-(diethylamino)phenyl]-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide
CID 11574132
(E)-1-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one
CID 21324463
(Z)-3-[4-(diethylamino)phenyl]-1-(4-ethoxyphenyl)prop-2-en-1-one
CID 54604270
2-[4-[(E)-3-[4-(diethylamino)phenyl]prop-2-enoyl]phenoxy]acetate
CID 8727219
4-(diethylamino)-N,N-diethylbenzamide
CID 17310828
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
2-[4-[(E)-3-[4-(diethylamino)phenyl]prop-2-enoyl]phenoxy]-N,N-dimethylacetamide
CID 8684788
(E)-1-(4-butan-2-ylphenyl)but-2-en-1-one;ethane
CID 177055276
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
2-amino-1-[4-(diethylamino)phenyl]propan-1-one
CID 83971993

Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylamino)phenyl]but-2-en-1-one?
The IUPAC name of 1-[4-(diethylamino)phenyl]but-2-en-1-one (CID 162367045) is 1-[4-(diethylamino)phenyl]but-2-en-1-one.
What is the SMILES notation for 1-[4-(diethylamino)phenyl]but-2-en-1-one?
The canonical SMILES for 1-[4-(diethylamino)phenyl]but-2-en-1-one is CC=CC(=O)c1ccc(N(CC)CC)cc1.
What is the InChIKey of 1-[4-(diethylamino)phenyl]but-2-en-1-one?
The InChIKey is LSTIEHCCKCVLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-4-7-14(16)12-8-10-13(11-9-12)15(5-2)6-3/h4,7-11H,5-6H2,1-3H3.
What are the key properties of 1-[4-(diethylamino)phenyl]but-2-en-1-one?
1-[4-(diethylamino)phenyl]but-2-en-1-one has a molecular weight of 217.31 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylamino)phenyl]but-2-en-1-one is sourced from PubChem (CID 162367045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).