2-[5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-2-yl]acetamide

C11H15NOS — CID 145133956

IUPAC2-[5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-2-yl]acetamide
SMILESC=CC1=C(/C=C\C)CC(CC(N)=O)S1
InChIInChI=1S/C11H15NOS/c1-3-5-8-6-9(7-11(12)13)14-10(8)4-2/h3-5,9H,2,6-7H2,1H3,(H2,12,13)/b5-3-
InChIKeyDQIWKQYMLDVJPK-HYXAFXHYSA-N
MW209.31 g/mol
LogP2.38
Rot. Bonds4

About 2-[5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-2-yl]acetamide

2-[5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-2-yl]acetamide (PubChem CID 145133956) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 2-[5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-2-yl]acetamide.

Molecular Properties

Compound Name2-[5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-2-yl]acetamide
PubChem CID145133956
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name2-[5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-2-yl]acetamide
SMILESC=CC1=C(/C=C\C)CC(CC(N)=O)S1
InChIInChI=1S/C11H15NOS/c1-3-5-8-6-9(7-11(12)13)14-10(8)4-2/h3-5,9H,2,6-7H2,1H3,(H2,12,13)/b5-3-
InChIKeyDQIWKQYMLDVJPK-HYXAFXHYSA-N
XLogP2.38
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-2-yl]acetamide?
The IUPAC name of 2-[5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-2-yl]acetamide (CID 145133956) is 2-[5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-2-yl]acetamide.
What is the SMILES notation for 2-[5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-2-yl]acetamide?
The canonical SMILES for 2-[5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-2-yl]acetamide is C=CC1=C(/C=C\C)CC(CC(N)=O)S1.
What is the InChIKey of 2-[5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-2-yl]acetamide?
The InChIKey is DQIWKQYMLDVJPK-HYXAFXHYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-3-5-8-6-9(7-11(12)13)14-10(8)4-2/h3-5,9H,2,6-7H2,1H3,(H2,12,13)/b5-3-.
What are the key properties of 2-[5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-2-yl]acetamide?
2-[5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-2-yl]acetamide has a molecular weight of 209.31 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-2-yl]acetamide is sourced from PubChem (CID 145133956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).