(Z)-4-(dimethylamino)-3-(2-methoxy-4-methylphenyl)but-3-en-2-one

C14H19NO2 — CID 129088973

IUPAC(Z)-4-(dimethylamino)-3-(2-methoxy-4-methylphenyl)but-3-en-2-one
SMILESCOc1cc(C)ccc1/C(=C/N(C)C)C(C)=O
InChIInChI=1S/C14H19NO2/c1-10-6-7-12(14(8-10)17-5)13(11(2)16)9-15(3)4/h6-9H,1-5H3/b13-9+
InChIKeyYSTULXOYJCGQFI-UKTHLTGXSA-N
MW233.31 g/mol
LogP2.50
Rot. Bonds4

About (Z)-4-(dimethylamino)-3-(2-methoxy-4-methylphenyl)but-3-en-2-one

(Z)-4-(dimethylamino)-3-(2-methoxy-4-methylphenyl)but-3-en-2-one (PubChem CID 129088973) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (Z)-4-(dimethylamino)-3-(2-methoxy-4-methylphenyl)but-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-(dimethylamino)-3-(2-methoxy-4-methylphenyl)but-3-en-2-one
PubChem CID129088973
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(Z)-4-(dimethylamino)-3-(2-methoxy-4-methylphenyl)but-3-en-2-one
SMILESCOc1cc(C)ccc1/C(=C/N(C)C)C(C)=O
InChIInChI=1S/C14H19NO2/c1-10-6-7-12(14(8-10)17-5)13(11(2)16)9-15(3)4/h6-9H,1-5H3/b13-9+
InChIKeyYSTULXOYJCGQFI-UKTHLTGXSA-N
XLogP2.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-methoxy-N,4-dimethylbenzamide
CID 58484242
2-(3,5-dimethylphenyl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 106790381
(2Z)-2-[1-(2-methoxy-4-methylphenyl)ethylidene]butanedioic acid
CID 127258389
2-[2-(dimethylamino)ethyl-methylamino]-1-(2-methoxy-4-methylphenyl)ethanone
CID 63700393
(E)-1-(2-methoxy-4-methylphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
CID 24561832
2-[2-(2-methoxy-4-methylphenyl)-2-oxoethyl]sulfanyl-N,N-dimethylacetamide
CID 114234153
2-methoxy-N,5-dimethylbenzohydrazide
CID 116845575
(Z)-3-amino-2-(2-methoxy-4-methylphenyl)prop-2-enal
CID 165395610
1-(2-methoxy-4-methylphenyl)-5,5-dimethylhexan-1-one
CID 114209847
1-(2-methoxy-4-methylphenyl)-2-prop-2-enoxyethanone
CID 62029110
(4-amino-2-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 104784994
2-methylpropyl 2-methoxy-4-methylbenzoate
CID 141306404

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(dimethylamino)-3-(2-methoxy-4-methylphenyl)but-3-en-2-one?
The IUPAC name of (Z)-4-(dimethylamino)-3-(2-methoxy-4-methylphenyl)but-3-en-2-one (CID 129088973) is (Z)-4-(dimethylamino)-3-(2-methoxy-4-methylphenyl)but-3-en-2-one.
What is the SMILES notation for (Z)-4-(dimethylamino)-3-(2-methoxy-4-methylphenyl)but-3-en-2-one?
The canonical SMILES for (Z)-4-(dimethylamino)-3-(2-methoxy-4-methylphenyl)but-3-en-2-one is COc1cc(C)ccc1/C(=C/N(C)C)C(C)=O.
What is the InChIKey of (Z)-4-(dimethylamino)-3-(2-methoxy-4-methylphenyl)but-3-en-2-one?
The InChIKey is YSTULXOYJCGQFI-UKTHLTGXSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-6-7-12(14(8-10)17-5)13(11(2)16)9-15(3)4/h6-9H,1-5H3/b13-9+.
What are the key properties of (Z)-4-(dimethylamino)-3-(2-methoxy-4-methylphenyl)but-3-en-2-one?
(Z)-4-(dimethylamino)-3-(2-methoxy-4-methylphenyl)but-3-en-2-one has a molecular weight of 233.31 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(dimethylamino)-3-(2-methoxy-4-methylphenyl)but-3-en-2-one is sourced from PubChem (CID 129088973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).