1,2-dihydropyrrol-3-one;sulfane

C4H7NOS — CID 174428195

IUPAC1,2-dihydropyrrol-3-one;sulfane
SMILESO=C1C=CNC1.S
InChIInChI=1S/C4H5NO.H2S/c6-4-1-2-5-3-4;/h1-2,5H,3H2;1H2
InChIKeyZKJAHFNZLIPAIV-UHFFFAOYSA-N
MW117.17 g/mol
LogP-0.21
Rot. Bonds

About 1,2-dihydropyrrol-3-one;sulfane

1,2-dihydropyrrol-3-one;sulfane (PubChem CID 174428195) has the molecular formula C4H7NOS and a molecular weight of 117.17 g/mol. Its IUPAC name is 1,2-dihydropyrrol-3-one;sulfane.

Molecular Properties

Compound Name1,2-dihydropyrrol-3-one;sulfane
PubChem CID174428195
Molecular FormulaC4H7NOS
Molecular Weight117.17 g/mol
Exact Mass117.02
IUPAC Name1,2-dihydropyrrol-3-one;sulfane
SMILESO=C1C=CNC1.S
InChIInChI=1S/C4H5NO.H2S/c6-4-1-2-5-3-4;/h1-2,5H,3H2;1H2
InChIKeyZKJAHFNZLIPAIV-UHFFFAOYSA-N
XLogP-0.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.17
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydropyrrol-3-one;sulfane?
The IUPAC name of 1,2-dihydropyrrol-3-one;sulfane (CID 174428195) is 1,2-dihydropyrrol-3-one;sulfane.
What is the SMILES notation for 1,2-dihydropyrrol-3-one;sulfane?
The canonical SMILES for 1,2-dihydropyrrol-3-one;sulfane is O=C1C=CNC1.S.
What is the InChIKey of 1,2-dihydropyrrol-3-one;sulfane?
The InChIKey is ZKJAHFNZLIPAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO.H2S/c6-4-1-2-5-3-4;/h1-2,5H,3H2;1H2.
What are the key properties of 1,2-dihydropyrrol-3-one;sulfane?
1,2-dihydropyrrol-3-one;sulfane has a molecular weight of 117.17 g/mol, XLogP of -0.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydropyrrol-3-one;sulfane is sourced from PubChem (CID 174428195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).