2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)-1,2-oxazolidine

C9H13N3O3S — CID 127914100

IUPAC2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)-1,2-oxazolidine
SMILESO=S(=O)(c1cnc2n1CCC2)N1CCCO1
InChIInChI=1S/C9H13N3O3S/c13-16(14,12-5-2-6-15-12)9-7-10-8-3-1-4-11(8)9/h7H,1-6H2
InChIKeyVILGRLQHZFUDKW-UHFFFAOYSA-N
MW243.29 g/mol
LogP0.16
Rot. Bonds2

About 2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)-1,2-oxazolidine

2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)-1,2-oxazolidine (PubChem CID 127914100) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is 2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)-1,2-oxazolidine.

Molecular Properties

Compound Name2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)-1,2-oxazolidine
PubChem CID127914100
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Name2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)-1,2-oxazolidine
SMILESO=S(=O)(c1cnc2n1CCC2)N1CCCO1
InChIInChI=1S/C9H13N3O3S/c13-16(14,12-5-2-6-15-12)9-7-10-8-3-1-4-11(8)9/h7H,1-6H2
InChIKeyVILGRLQHZFUDKW-UHFFFAOYSA-N
XLogP0.16
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)-1,2-oxazolidine?
The IUPAC name of 2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)-1,2-oxazolidine (CID 127914100) is 2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)-1,2-oxazolidine.
What is the SMILES notation for 2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)-1,2-oxazolidine?
The canonical SMILES for 2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)-1,2-oxazolidine is O=S(=O)(c1cnc2n1CCC2)N1CCCO1.
What is the InChIKey of 2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)-1,2-oxazolidine?
The InChIKey is VILGRLQHZFUDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c13-16(14,12-5-2-6-15-12)9-7-10-8-3-1-4-11(8)9/h7H,1-6H2.
What are the key properties of 2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)-1,2-oxazolidine?
2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)-1,2-oxazolidine has a molecular weight of 243.29 g/mol, XLogP of 0.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)-1,2-oxazolidine is sourced from PubChem (CID 127914100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).