methyl 3-[(E)-3-(dimethylamino)prop-1-enyl]-4-methoxybenzoate

C14H19NO3 — CID 10586709

IUPACmethyl 3-[(E)-3-(dimethylamino)prop-1-enyl]-4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)c(/C=C/CN(C)C)c1
InChIInChI=1S/C14H19NO3/c1-15(2)9-5-6-11-10-12(14(16)18-4)7-8-13(11)17-3/h5-8,10H,9H2,1-4H3/b6-5+
InChIKeyFZDBOEBPFOIECM-AATRIKPKSA-N
MW249.31 g/mol
LogP2.06
Rot. Bonds5

About methyl 3-[(E)-3-(dimethylamino)prop-1-enyl]-4-methoxybenzoate

methyl 3-[(E)-3-(dimethylamino)prop-1-enyl]-4-methoxybenzoate (PubChem CID 10586709) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 3-[(E)-3-(dimethylamino)prop-1-enyl]-4-methoxybenzoate.

Molecular Properties

Compound Namemethyl 3-[(E)-3-(dimethylamino)prop-1-enyl]-4-methoxybenzoate
PubChem CID10586709
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namemethyl 3-[(E)-3-(dimethylamino)prop-1-enyl]-4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)c(/C=C/CN(C)C)c1
InChIInChI=1S/C14H19NO3/c1-15(2)9-5-6-11-10-12(14(16)18-4)7-8-13(11)17-3/h5-8,10H,9H2,1-4H3/b6-5+
InChIKeyFZDBOEBPFOIECM-AATRIKPKSA-N
XLogP2.06
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(3-chloroprop-1-enyl)-4-methoxybenzoate
CID 169478133
methyl 3-(4-amino-4-oxobut-1-enyl)-4-methoxybenzoate
CID 170798767
methyl 3-(4-bromobut-1-enyl)-4-methoxybenzoate
CID 170498290
3-[(E)-3-(dimethylamino)prop-1-enyl]-4-methoxy-N-(4-pyridin-4-ylphenyl)benzamide
CID 10643939
3-(3-hydroxyprop-1-enyl)-4-methoxybenzoic acid
CID 169453813
4-methoxy-3-(4-sulfanylbut-1-enyl)benzoic acid
CID 170478902
methyl 4-(3-cyanoprop-1-enyl)-3-methoxybenzoate
CID 170800542
1-[3-(4-aminobut-1-enyl)-4-methoxyphenyl]ethanone
CID 170487445
methyl 4-fluoro-3-(4-sulfanylbut-1-enyl)benzoate
CID 170478847
methyl 3-methoxy-4-[3-(2-methoxy-4-methoxycarbonylphenoxy)propoxy]benzoate
CID 15167932
methyl 4-(2-fluoroethoxy)-3-methoxybenzoate
CID 90061966
methyl 4-amino-3-methoxybenzoate
CID 602411

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(E)-3-(dimethylamino)prop-1-enyl]-4-methoxybenzoate?
The IUPAC name of methyl 3-[(E)-3-(dimethylamino)prop-1-enyl]-4-methoxybenzoate (CID 10586709) is methyl 3-[(E)-3-(dimethylamino)prop-1-enyl]-4-methoxybenzoate.
What is the SMILES notation for methyl 3-[(E)-3-(dimethylamino)prop-1-enyl]-4-methoxybenzoate?
The canonical SMILES for methyl 3-[(E)-3-(dimethylamino)prop-1-enyl]-4-methoxybenzoate is COC(=O)c1ccc(OC)c(/C=C/CN(C)C)c1.
What is the InChIKey of methyl 3-[(E)-3-(dimethylamino)prop-1-enyl]-4-methoxybenzoate?
The InChIKey is FZDBOEBPFOIECM-AATRIKPKSA-N. The full InChI is InChI=1S/C14H19NO3/c1-15(2)9-5-6-11-10-12(14(16)18-4)7-8-13(11)17-3/h5-8,10H,9H2,1-4H3/b6-5+.
What are the key properties of methyl 3-[(E)-3-(dimethylamino)prop-1-enyl]-4-methoxybenzoate?
methyl 3-[(E)-3-(dimethylamino)prop-1-enyl]-4-methoxybenzoate has a molecular weight of 249.31 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(E)-3-(dimethylamino)prop-1-enyl]-4-methoxybenzoate is sourced from PubChem (CID 10586709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).