methyl (Z)-3-(prop-2-enylamino)-3-thiophen-2-ylprop-2-enoate

C11H13NO2S — CID 176895458

IUPACmethyl (Z)-3-(prop-2-enylamino)-3-thiophen-2-ylprop-2-enoate
SMILESC=CCN/C(=C\C(=O)OC)c1cccs1
InChIInChI=1S/C11H13NO2S/c1-3-6-12-9(8-11(13)14-2)10-5-4-7-15-10/h3-5,7-8,12H,1,6H2,2H3/b9-8-
InChIKeyDSIZFMQBSQYYFU-HJWRWDBZSA-N
MW223.30 g/mol
LogP2.04
Rot. Bonds5

About methyl (Z)-3-(prop-2-enylamino)-3-thiophen-2-ylprop-2-enoate

methyl (Z)-3-(prop-2-enylamino)-3-thiophen-2-ylprop-2-enoate (PubChem CID 176895458) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is methyl (Z)-3-(prop-2-enylamino)-3-thiophen-2-ylprop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-(prop-2-enylamino)-3-thiophen-2-ylprop-2-enoate
PubChem CID176895458
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Namemethyl (Z)-3-(prop-2-enylamino)-3-thiophen-2-ylprop-2-enoate
SMILESC=CCN/C(=C\C(=O)OC)c1cccs1
InChIInChI=1S/C11H13NO2S/c1-3-6-12-9(8-11(13)14-2)10-5-4-7-15-10/h3-5,7-8,12H,1,6H2,2H3/b9-8-
InChIKeyDSIZFMQBSQYYFU-HJWRWDBZSA-N
XLogP2.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-(prop-2-enylamino)-3-thiophen-2-ylprop-2-enoate?
The IUPAC name of methyl (Z)-3-(prop-2-enylamino)-3-thiophen-2-ylprop-2-enoate (CID 176895458) is methyl (Z)-3-(prop-2-enylamino)-3-thiophen-2-ylprop-2-enoate.
What is the SMILES notation for methyl (Z)-3-(prop-2-enylamino)-3-thiophen-2-ylprop-2-enoate?
The canonical SMILES for methyl (Z)-3-(prop-2-enylamino)-3-thiophen-2-ylprop-2-enoate is C=CCN/C(=C\C(=O)OC)c1cccs1.
What is the InChIKey of methyl (Z)-3-(prop-2-enylamino)-3-thiophen-2-ylprop-2-enoate?
The InChIKey is DSIZFMQBSQYYFU-HJWRWDBZSA-N. The full InChI is InChI=1S/C11H13NO2S/c1-3-6-12-9(8-11(13)14-2)10-5-4-7-15-10/h3-5,7-8,12H,1,6H2,2H3/b9-8-.
What are the key properties of methyl (Z)-3-(prop-2-enylamino)-3-thiophen-2-ylprop-2-enoate?
methyl (Z)-3-(prop-2-enylamino)-3-thiophen-2-ylprop-2-enoate has a molecular weight of 223.30 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-(prop-2-enylamino)-3-thiophen-2-ylprop-2-enoate is sourced from PubChem (CID 176895458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).