(2-methyl-1,3-dioxo-5,6-dihydro-4H-cyclopenta[c]pyrrol-5-yl)methyl methanesulfonate

C10H13NO5S — CID 71538540

IUPAC(2-methyl-1,3-dioxo-5,6-dihydro-4H-cyclopenta[c]pyrrol-5-yl)methyl methanesulfonate
SMILESCN1C(=O)C2=C(CC(COS(C)(=O)=O)C2)C1=O
InChIInChI=1S/C10H13NO5S/c1-11-9(12)7-3-6(4-8(7)10(11)13)5-16-17(2,14)15/h6H,3-5H2,1-2H3
InChIKeyFYXXJQQXUJSIHD-UHFFFAOYSA-N
MW259.28 g/mol
LogP-0.33
Rot. Bonds3

About (2-methyl-1,3-dioxo-5,6-dihydro-4H-cyclopenta[c]pyrrol-5-yl)methyl methanesulfonate

(2-methyl-1,3-dioxo-5,6-dihydro-4H-cyclopenta[c]pyrrol-5-yl)methyl methanesulfonate (PubChem CID 71538540) has the molecular formula C10H13NO5S and a molecular weight of 259.28 g/mol. Its IUPAC name is (2-methyl-1,3-dioxo-5,6-dihydro-4H-cyclopenta[c]pyrrol-5-yl)methyl methanesulfonate.

Molecular Properties

Compound Name(2-methyl-1,3-dioxo-5,6-dihydro-4H-cyclopenta[c]pyrrol-5-yl)methyl methanesulfonate
PubChem CID71538540
Molecular FormulaC10H13NO5S
Molecular Weight259.28 g/mol
Exact Mass259.05
IUPAC Name(2-methyl-1,3-dioxo-5,6-dihydro-4H-cyclopenta[c]pyrrol-5-yl)methyl methanesulfonate
SMILESCN1C(=O)C2=C(CC(COS(C)(=O)=O)C2)C1=O
InChIInChI=1S/C10H13NO5S/c1-11-9(12)7-3-6(4-8(7)10(11)13)5-16-17(2,14)15/h6H,3-5H2,1-2H3
InChIKeyFYXXJQQXUJSIHD-UHFFFAOYSA-N
XLogP-0.33
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-dioxo-5,6-dihydro-4H-cyclopenta[c]pyrrol-5-yl)methyl methanesulfonate?
The IUPAC name of (2-methyl-1,3-dioxo-5,6-dihydro-4H-cyclopenta[c]pyrrol-5-yl)methyl methanesulfonate (CID 71538540) is (2-methyl-1,3-dioxo-5,6-dihydro-4H-cyclopenta[c]pyrrol-5-yl)methyl methanesulfonate.
What is the SMILES notation for (2-methyl-1,3-dioxo-5,6-dihydro-4H-cyclopenta[c]pyrrol-5-yl)methyl methanesulfonate?
The canonical SMILES for (2-methyl-1,3-dioxo-5,6-dihydro-4H-cyclopenta[c]pyrrol-5-yl)methyl methanesulfonate is CN1C(=O)C2=C(CC(COS(C)(=O)=O)C2)C1=O.
What is the InChIKey of (2-methyl-1,3-dioxo-5,6-dihydro-4H-cyclopenta[c]pyrrol-5-yl)methyl methanesulfonate?
The InChIKey is FYXXJQQXUJSIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5S/c1-11-9(12)7-3-6(4-8(7)10(11)13)5-16-17(2,14)15/h6H,3-5H2,1-2H3.
What are the key properties of (2-methyl-1,3-dioxo-5,6-dihydro-4H-cyclopenta[c]pyrrol-5-yl)methyl methanesulfonate?
(2-methyl-1,3-dioxo-5,6-dihydro-4H-cyclopenta[c]pyrrol-5-yl)methyl methanesulfonate has a molecular weight of 259.28 g/mol, XLogP of -0.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-dioxo-5,6-dihydro-4H-cyclopenta[c]pyrrol-5-yl)methyl methanesulfonate is sourced from PubChem (CID 71538540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).