methyl (E)-3-(5-methoxythiophen-2-yl)prop-2-enoate

C9H10O3S — CID 68847541

IUPACmethyl (E)-3-(5-methoxythiophen-2-yl)prop-2-enoate
SMILESCOC(=O)/C=C/c1ccc(OC)s1
InChIInChI=1S/C9H10O3S/c1-11-8(10)5-3-7-4-6-9(12-2)13-7/h3-6H,1-2H3/b5-3+
InChIKeyUHUXVNKFVXJKFJ-HWKANZROSA-N
MW198.24 g/mol
LogP1.94
Rot. Bonds3

About methyl (E)-3-(5-methoxythiophen-2-yl)prop-2-enoate

methyl (E)-3-(5-methoxythiophen-2-yl)prop-2-enoate (PubChem CID 68847541) has the molecular formula C9H10O3S and a molecular weight of 198.24 g/mol. Its IUPAC name is methyl (E)-3-(5-methoxythiophen-2-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-(5-methoxythiophen-2-yl)prop-2-enoate
PubChem CID68847541
Molecular FormulaC9H10O3S
Molecular Weight198.24 g/mol
Exact Mass198.04
IUPAC Namemethyl (E)-3-(5-methoxythiophen-2-yl)prop-2-enoate
SMILESCOC(=O)/C=C/c1ccc(OC)s1
InChIInChI=1S/C9H10O3S/c1-11-8(10)5-3-7-4-6-9(12-2)13-7/h3-6H,1-2H3/b5-3+
InChIKeyUHUXVNKFVXJKFJ-HWKANZROSA-N
XLogP1.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(5-ethylthiophen-2-yl)prop-2-enoate
CID 70628274
cyclopropane;methyl 3-(5-bromothiophen-2-yl)prop-2-enoate
CID 70627909
methyl 3-(5-nitrothiophen-2-yl)prop-2-enoate
CID 85167112
methyl 3-(5-prop-1-ynylthiophen-2-yl)prop-2-enoate
CID 162911537
(E)-3-(5-methoxythiophen-2-yl)prop-2-enal
CID 10034993
methyl 3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enoate
CID 169479932
methyl (E)-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enoate
CID 113220269
2-methoxy-5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]thiophene
CID 121000896
methyl 3-[5-(2-ethoxy-2-oxoacetyl)thiophen-2-yl]prop-2-enoate
CID 169479630
methyl (Z)-3-thiophen-3-ylprop-2-enoate
CID 35026955
methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 641297
methyl (E)-3-[3,5-bis[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]prop-2-enoate
CID 11823692

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-(5-methoxythiophen-2-yl)prop-2-enoate?
The IUPAC name of methyl (E)-3-(5-methoxythiophen-2-yl)prop-2-enoate (CID 68847541) is methyl (E)-3-(5-methoxythiophen-2-yl)prop-2-enoate.
What is the SMILES notation for methyl (E)-3-(5-methoxythiophen-2-yl)prop-2-enoate?
The canonical SMILES for methyl (E)-3-(5-methoxythiophen-2-yl)prop-2-enoate is COC(=O)/C=C/c1ccc(OC)s1.
What is the InChIKey of methyl (E)-3-(5-methoxythiophen-2-yl)prop-2-enoate?
The InChIKey is UHUXVNKFVXJKFJ-HWKANZROSA-N. The full InChI is InChI=1S/C9H10O3S/c1-11-8(10)5-3-7-4-6-9(12-2)13-7/h3-6H,1-2H3/b5-3+.
What are the key properties of methyl (E)-3-(5-methoxythiophen-2-yl)prop-2-enoate?
methyl (E)-3-(5-methoxythiophen-2-yl)prop-2-enoate has a molecular weight of 198.24 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-(5-methoxythiophen-2-yl)prop-2-enoate is sourced from PubChem (CID 68847541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).