prop-2-enyl N-(5-methylthiophen-2-yl)carbamate

C9H11NO2S — CID 21064928

IUPACprop-2-enyl N-(5-methylthiophen-2-yl)carbamate
SMILESC=CCOC(=O)Nc1ccc(C)s1
InChIInChI=1S/C9H11NO2S/c1-3-6-12-9(11)10-8-5-4-7(2)13-8/h3-5H,1,6H2,2H3,(H,10,11)
InChIKeyRRWCLSIBUVVYHV-UHFFFAOYSA-N
MW197.26 g/mol
LogP2.79
Rot. Bonds3

About prop-2-enyl N-(5-methylthiophen-2-yl)carbamate

prop-2-enyl N-(5-methylthiophen-2-yl)carbamate (PubChem CID 21064928) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is prop-2-enyl N-(5-methylthiophen-2-yl)carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-(5-methylthiophen-2-yl)carbamate
PubChem CID21064928
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Nameprop-2-enyl N-(5-methylthiophen-2-yl)carbamate
SMILESC=CCOC(=O)Nc1ccc(C)s1
InChIInChI=1S/C9H11NO2S/c1-3-6-12-9(11)10-8-5-4-7(2)13-8/h3-5H,1,6H2,2H3,(H,10,11)
InChIKeyRRWCLSIBUVVYHV-UHFFFAOYSA-N
XLogP2.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-(5-methylthiophen-2-yl)carbamate?
The IUPAC name of prop-2-enyl N-(5-methylthiophen-2-yl)carbamate (CID 21064928) is prop-2-enyl N-(5-methylthiophen-2-yl)carbamate.
What is the SMILES notation for prop-2-enyl N-(5-methylthiophen-2-yl)carbamate?
The canonical SMILES for prop-2-enyl N-(5-methylthiophen-2-yl)carbamate is C=CCOC(=O)Nc1ccc(C)s1.
What is the InChIKey of prop-2-enyl N-(5-methylthiophen-2-yl)carbamate?
The InChIKey is RRWCLSIBUVVYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-3-6-12-9(11)10-8-5-4-7(2)13-8/h3-5H,1,6H2,2H3,(H,10,11).
What are the key properties of prop-2-enyl N-(5-methylthiophen-2-yl)carbamate?
prop-2-enyl N-(5-methylthiophen-2-yl)carbamate has a molecular weight of 197.26 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-(5-methylthiophen-2-yl)carbamate is sourced from PubChem (CID 21064928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).