5-(2-methoxy-1,3-dithian-2-yl)pyrrolidin-2-one

C9H15NO2S2 — CID 102136140

IUPAC5-(2-methoxy-1,3-dithian-2-yl)pyrrolidin-2-one
SMILESCOC1(C2CCC(=O)N2)SCCCS1
InChIInChI=1S/C9H15NO2S2/c1-12-9(13-5-2-6-14-9)7-3-4-8(11)10-7/h7H,2-6H2,1H3,(H,10,11)
InChIKeyBVAMZSHHXCUPKE-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.44
Rot. Bonds2

About 5-(2-methoxy-1,3-dithian-2-yl)pyrrolidin-2-one

5-(2-methoxy-1,3-dithian-2-yl)pyrrolidin-2-one (PubChem CID 102136140) has the molecular formula C9H15NO2S2 and a molecular weight of 233.36 g/mol. Its IUPAC name is 5-(2-methoxy-1,3-dithian-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(2-methoxy-1,3-dithian-2-yl)pyrrolidin-2-one
PubChem CID102136140
Molecular FormulaC9H15NO2S2
Molecular Weight233.36 g/mol
Exact Mass233.05
IUPAC Name5-(2-methoxy-1,3-dithian-2-yl)pyrrolidin-2-one
SMILESCOC1(C2CCC(=O)N2)SCCCS1
InChIInChI=1S/C9H15NO2S2/c1-12-9(13-5-2-6-14-9)7-3-4-8(11)10-7/h7H,2-6H2,1H3,(H,10,11)
InChIKeyBVAMZSHHXCUPKE-UHFFFAOYSA-N
XLogP1.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-1,3-dithian-2-yl)pyrrolidin-2-one?
The IUPAC name of 5-(2-methoxy-1,3-dithian-2-yl)pyrrolidin-2-one (CID 102136140) is 5-(2-methoxy-1,3-dithian-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 5-(2-methoxy-1,3-dithian-2-yl)pyrrolidin-2-one?
The canonical SMILES for 5-(2-methoxy-1,3-dithian-2-yl)pyrrolidin-2-one is COC1(C2CCC(=O)N2)SCCCS1.
What is the InChIKey of 5-(2-methoxy-1,3-dithian-2-yl)pyrrolidin-2-one?
The InChIKey is BVAMZSHHXCUPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S2/c1-12-9(13-5-2-6-14-9)7-3-4-8(11)10-7/h7H,2-6H2,1H3,(H,10,11).
What are the key properties of 5-(2-methoxy-1,3-dithian-2-yl)pyrrolidin-2-one?
5-(2-methoxy-1,3-dithian-2-yl)pyrrolidin-2-one has a molecular weight of 233.36 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-1,3-dithian-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 102136140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).