prop-1-enyl N-prop-2-enoylsulfamate

C6H9NO4S — CID 174424200

IUPACprop-1-enyl N-prop-2-enoylsulfamate
SMILESC=CC(=O)NS(=O)(=O)OC=CC
InChIInChI=1S/C6H9NO4S/c1-3-5-11-12(9,10)7-6(8)4-2/h3-5H,2H2,1H3,(H,7,8)
InChIKeyGVRYVNSYULYICF-UHFFFAOYSA-N
MW191.21 g/mol
LogP0.08
Rot. Bonds4

About prop-1-enyl N-prop-2-enoylsulfamate

prop-1-enyl N-prop-2-enoylsulfamate (PubChem CID 174424200) has the molecular formula C6H9NO4S and a molecular weight of 191.21 g/mol. Its IUPAC name is prop-1-enyl N-prop-2-enoylsulfamate.

Molecular Properties

Compound Nameprop-1-enyl N-prop-2-enoylsulfamate
PubChem CID174424200
Molecular FormulaC6H9NO4S
Molecular Weight191.21 g/mol
Exact Mass191.03
IUPAC Nameprop-1-enyl N-prop-2-enoylsulfamate
SMILESC=CC(=O)NS(=O)(=O)OC=CC
InChIInChI=1S/C6H9NO4S/c1-3-5-11-12(9,10)7-6(8)4-2/h3-5H,2H2,1H3,(H,7,8)
InChIKeyGVRYVNSYULYICF-UHFFFAOYSA-N
XLogP0.08
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-1-enyl N-prop-2-enoylsulfamate?
The IUPAC name of prop-1-enyl N-prop-2-enoylsulfamate (CID 174424200) is prop-1-enyl N-prop-2-enoylsulfamate.
What is the SMILES notation for prop-1-enyl N-prop-2-enoylsulfamate?
The canonical SMILES for prop-1-enyl N-prop-2-enoylsulfamate is C=CC(=O)NS(=O)(=O)OC=CC.
What is the InChIKey of prop-1-enyl N-prop-2-enoylsulfamate?
The InChIKey is GVRYVNSYULYICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO4S/c1-3-5-11-12(9,10)7-6(8)4-2/h3-5H,2H2,1H3,(H,7,8).
What are the key properties of prop-1-enyl N-prop-2-enoylsulfamate?
prop-1-enyl N-prop-2-enoylsulfamate has a molecular weight of 191.21 g/mol, XLogP of 0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-enyl N-prop-2-enoylsulfamate is sourced from PubChem (CID 174424200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).