prop-2-enyl(thiophen-2-ylmethyl)carbamic acid

C9H11NO2S — CID 90992589

IUPACprop-2-enyl(thiophen-2-ylmethyl)carbamic acid
SMILESC=CCN(Cc1cccs1)C(=O)O
InChIInChI=1S/C9H11NO2S/c1-2-5-10(9(11)12)7-8-4-3-6-13-8/h2-4,6H,1,5,7H2,(H,11,12)
InChIKeyRRDRLOHUXLJPDE-UHFFFAOYSA-N
MW197.26 g/mol
LogP2.41
Rot. Bonds4

About prop-2-enyl(thiophen-2-ylmethyl)carbamic acid

prop-2-enyl(thiophen-2-ylmethyl)carbamic acid (PubChem CID 90992589) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is prop-2-enyl(thiophen-2-ylmethyl)carbamic acid.

Molecular Properties

Compound Nameprop-2-enyl(thiophen-2-ylmethyl)carbamic acid
PubChem CID90992589
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Nameprop-2-enyl(thiophen-2-ylmethyl)carbamic acid
SMILESC=CCN(Cc1cccs1)C(=O)O
InChIInChI=1S/C9H11NO2S/c1-2-5-10(9(11)12)7-8-4-3-6-13-8/h2-4,6H,1,5,7H2,(H,11,12)
InChIKeyRRDRLOHUXLJPDE-UHFFFAOYSA-N
XLogP2.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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(thiophen-2-ylmethyl)carbamic acid?
The IUPAC name of prop-2-enyl(thiophen-2-ylmethyl)carbamic acid (CID 90992589) is prop-2-enyl(thiophen-2-ylmethyl)carbamic acid.
What is the SMILES notation for prop-2-enyl(thiophen-2-ylmethyl)carbamic acid?
The canonical SMILES for prop-2-enyl(thiophen-2-ylmethyl)carbamic acid is C=CCN(Cc1cccs1)C(=O)O.
What is the InChIKey of prop-2-enyl(thiophen-2-ylmethyl)carbamic acid?
The InChIKey is RRDRLOHUXLJPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-2-5-10(9(11)12)7-8-4-3-6-13-8/h2-4,6H,1,5,7H2,(H,11,12).
What are the key properties of prop-2-enyl(thiophen-2-ylmethyl)carbamic acid?
prop-2-enyl(thiophen-2-ylmethyl)carbamic acid has a molecular weight of 197.26 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl(thiophen-2-ylmethyl)carbamic acid is sourced from PubChem (CID 90992589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).