thiophen-3-yl N-prop-2-enoylcarbamate

C8H7NO3S — CID 59502696

IUPACthiophen-3-yl N-prop-2-enoylcarbamate
SMILESC=CC(=O)NC(=O)Oc1ccsc1
InChIInChI=1S/C8H7NO3S/c1-2-7(10)9-8(11)12-6-3-4-13-5-6/h2-5H,1H2,(H,9,10,11)
InChIKeySANAEEJWGZVFGX-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.55
Rot. Bonds2

About thiophen-3-yl N-prop-2-enoylcarbamate

thiophen-3-yl N-prop-2-enoylcarbamate (PubChem CID 59502696) has the molecular formula C8H7NO3S and a molecular weight of 197.21 g/mol. Its IUPAC name is thiophen-3-yl N-prop-2-enoylcarbamate.

Molecular Properties

Compound Namethiophen-3-yl N-prop-2-enoylcarbamate
PubChem CID59502696
Molecular FormulaC8H7NO3S
Molecular Weight197.21 g/mol
Exact Mass197.01
IUPAC Namethiophen-3-yl N-prop-2-enoylcarbamate
SMILESC=CC(=O)NC(=O)Oc1ccsc1
InChIInChI=1S/C8H7NO3S/c1-2-7(10)9-8(11)12-6-3-4-13-5-6/h2-5H,1H2,(H,9,10,11)
InChIKeySANAEEJWGZVFGX-UHFFFAOYSA-N
XLogP1.55
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of thiophen-3-yl N-prop-2-enoylcarbamate?
The IUPAC name of thiophen-3-yl N-prop-2-enoylcarbamate (CID 59502696) is thiophen-3-yl N-prop-2-enoylcarbamate.
What is the SMILES notation for thiophen-3-yl N-prop-2-enoylcarbamate?
The canonical SMILES for thiophen-3-yl N-prop-2-enoylcarbamate is C=CC(=O)NC(=O)Oc1ccsc1.
What is the InChIKey of thiophen-3-yl N-prop-2-enoylcarbamate?
The InChIKey is SANAEEJWGZVFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO3S/c1-2-7(10)9-8(11)12-6-3-4-13-5-6/h2-5H,1H2,(H,9,10,11).
What are the key properties of thiophen-3-yl N-prop-2-enoylcarbamate?
thiophen-3-yl N-prop-2-enoylcarbamate has a molecular weight of 197.21 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-3-yl N-prop-2-enoylcarbamate is sourced from PubChem (CID 59502696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).