(Z)-3-(dimethylamino)-1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one

C14H17NO4 — CID 59066356

IUPAC(Z)-3-(dimethylamino)-1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one
SMILESCOc1c(C(=O)/C=C\N(C)C)ccc2c1OCCO2
InChIInChI=1S/C14H17NO4/c1-15(2)7-6-11(16)10-4-5-12-14(13(10)17-3)19-9-8-18-12/h4-7H,8-9H2,1-3H3/b7-6-
InChIKeyDVKXTSXAIYBGSC-SREVYHEPSA-N
MW263.29 g/mol
LogP1.72
Rot. Bonds4

About (Z)-3-(dimethylamino)-1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one

(Z)-3-(dimethylamino)-1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one (PubChem CID 59066356) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is (Z)-3-(dimethylamino)-1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-(dimethylamino)-1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one
PubChem CID59066356
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name(Z)-3-(dimethylamino)-1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one
SMILESCOc1c(C(=O)/C=C\N(C)C)ccc2c1OCCO2
InChIInChI=1S/C14H17NO4/c1-15(2)7-6-11(16)10-4-5-12-14(13(10)17-3)19-9-8-18-12/h4-7H,8-9H2,1-3H3/b7-6-
InChIKeyDVKXTSXAIYBGSC-SREVYHEPSA-N
XLogP1.72
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (Z)-3-(dimethylamino)-1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-1-(3,4-dimethoxy-2-phenylmethoxyphenyl)-3-(dimethylamino)prop-2-en-1-one
CID 59999680
3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)propanoic acid
CID 84700626
(E)-3-(dimethylamino)-1-[2-hydroxy-3-methoxy-4-(methoxymethoxy)phenyl]prop-2-en-1-one
CID 176889406
methyl 2-[(E)-3-(dimethylamino)prop-2-enoyl]benzoate
CID 58542024
methyl 5-[(E)-3-methoxy-3-oxoprop-1-enyl]-2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 102452597
1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)ethanone
CID 84675883
2-amino-2-(6-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetic acid
CID 117385401
5-methoxy-6-prop-2-enoxy-2,3-dihydro-1,4-benzodioxine
CID 121015180
methyl 7-[3-[4-[3-(dimethylamino)prop-2-enoyl]-3-methoxy-2-propylphenoxy]propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylate
CID 67948023
(E)-2-bromo-1-[3-(dimethylamino)-4-methoxyphenyl]-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one
CID 87978601
5-(5-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazole-3-carboxylic acid
CID 117468837
1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 66871110

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(dimethylamino)-1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one?
The IUPAC name of (Z)-3-(dimethylamino)-1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one (CID 59066356) is (Z)-3-(dimethylamino)-1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one.
What is the SMILES notation for (Z)-3-(dimethylamino)-1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one?
The canonical SMILES for (Z)-3-(dimethylamino)-1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one is COc1c(C(=O)/C=C\N(C)C)ccc2c1OCCO2.
What is the InChIKey of (Z)-3-(dimethylamino)-1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one?
The InChIKey is DVKXTSXAIYBGSC-SREVYHEPSA-N. The full InChI is InChI=1S/C14H17NO4/c1-15(2)7-6-11(16)10-4-5-12-14(13(10)17-3)19-9-8-18-12/h4-7H,8-9H2,1-3H3/b7-6-.
What are the key properties of (Z)-3-(dimethylamino)-1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one?
(Z)-3-(dimethylamino)-1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one has a molecular weight of 263.29 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(dimethylamino)-1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one is sourced from PubChem (CID 59066356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).