ethyl 5-[3-(methylamino)prop-1-enyl]thiophene-2-carboxylate

C11H15NO2S — CID 169473830

IUPACethyl 5-[3-(methylamino)prop-1-enyl]thiophene-2-carboxylate
SMILESCCOC(=O)c1ccc(C=CCNC)s1
InChIInChI=1S/C11H15NO2S/c1-3-14-11(13)10-7-6-9(15-10)5-4-8-12-2/h4-7,12H,3,8H2,1-2H3
InChIKeyDVHBDRZFSZDTKU-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.16
Rot. Bonds5

About ethyl 5-[3-(methylamino)prop-1-enyl]thiophene-2-carboxylate

ethyl 5-[3-(methylamino)prop-1-enyl]thiophene-2-carboxylate (PubChem CID 169473830) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is ethyl 5-[3-(methylamino)prop-1-enyl]thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[3-(methylamino)prop-1-enyl]thiophene-2-carboxylate
PubChem CID169473830
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Nameethyl 5-[3-(methylamino)prop-1-enyl]thiophene-2-carboxylate
SMILESCCOC(=O)c1ccc(C=CCNC)s1
InChIInChI=1S/C11H15NO2S/c1-3-14-11(13)10-7-6-9(15-10)5-4-8-12-2/h4-7,12H,3,8H2,1-2H3
InChIKeyDVHBDRZFSZDTKU-UHFFFAOYSA-N
XLogP2.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[3-(methylamino)prop-1-enyl]thiophene-2-carboxylate?
The IUPAC name of ethyl 5-[3-(methylamino)prop-1-enyl]thiophene-2-carboxylate (CID 169473830) is ethyl 5-[3-(methylamino)prop-1-enyl]thiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-[3-(methylamino)prop-1-enyl]thiophene-2-carboxylate?
The canonical SMILES for ethyl 5-[3-(methylamino)prop-1-enyl]thiophene-2-carboxylate is CCOC(=O)c1ccc(C=CCNC)s1.
What is the InChIKey of ethyl 5-[3-(methylamino)prop-1-enyl]thiophene-2-carboxylate?
The InChIKey is DVHBDRZFSZDTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-3-14-11(13)10-7-6-9(15-10)5-4-8-12-2/h4-7,12H,3,8H2,1-2H3.
What are the key properties of ethyl 5-[3-(methylamino)prop-1-enyl]thiophene-2-carboxylate?
ethyl 5-[3-(methylamino)prop-1-enyl]thiophene-2-carboxylate has a molecular weight of 225.31 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[3-(methylamino)prop-1-enyl]thiophene-2-carboxylate is sourced from PubChem (CID 169473830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).