(5R)-2-(pyrrolidine-1-carbonyl)-4-thia-1-azabicyclo[3.2.0]hept-2-en-7-one

C10H12N2O2S — CID 67837837

IUPAC(5R)-2-(pyrrolidine-1-carbonyl)-4-thia-1-azabicyclo[3.2.0]hept-2-en-7-one
SMILESO=C(C1=CS[C@@H]2CC(=O)N12)N1CCCC1
InChIInChI=1S/C10H12N2O2S/c13-8-5-9-12(8)7(6-15-9)10(14)11-3-1-2-4-11/h6,9H,1-5H2/t9-/m1/s1
InChIKeyUYFGVADUVUYAFU-SECBINFHSA-N
MW224.28 g/mol
LogP0.76
Rot. Bonds1

About (5R)-2-(pyrrolidine-1-carbonyl)-4-thia-1-azabicyclo[3.2.0]hept-2-en-7-one

(5R)-2-(pyrrolidine-1-carbonyl)-4-thia-1-azabicyclo[3.2.0]hept-2-en-7-one (PubChem CID 67837837) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is (5R)-2-(pyrrolidine-1-carbonyl)-4-thia-1-azabicyclo[3.2.0]hept-2-en-7-one.

Molecular Properties

Compound Name(5R)-2-(pyrrolidine-1-carbonyl)-4-thia-1-azabicyclo[3.2.0]hept-2-en-7-one
PubChem CID67837837
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name(5R)-2-(pyrrolidine-1-carbonyl)-4-thia-1-azabicyclo[3.2.0]hept-2-en-7-one
SMILESO=C(C1=CS[C@@H]2CC(=O)N12)N1CCCC1
InChIInChI=1S/C10H12N2O2S/c13-8-5-9-12(8)7(6-15-9)10(14)11-3-1-2-4-11/h6,9H,1-5H2/t9-/m1/s1
InChIKeyUYFGVADUVUYAFU-SECBINFHSA-N
XLogP0.76
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-(pyrrolidine-1-carbonyl)-4-thia-1-azabicyclo[3.2.0]hept-2-en-7-one?
The IUPAC name of (5R)-2-(pyrrolidine-1-carbonyl)-4-thia-1-azabicyclo[3.2.0]hept-2-en-7-one (CID 67837837) is (5R)-2-(pyrrolidine-1-carbonyl)-4-thia-1-azabicyclo[3.2.0]hept-2-en-7-one.
What is the SMILES notation for (5R)-2-(pyrrolidine-1-carbonyl)-4-thia-1-azabicyclo[3.2.0]hept-2-en-7-one?
The canonical SMILES for (5R)-2-(pyrrolidine-1-carbonyl)-4-thia-1-azabicyclo[3.2.0]hept-2-en-7-one is O=C(C1=CS[C@@H]2CC(=O)N12)N1CCCC1.
What is the InChIKey of (5R)-2-(pyrrolidine-1-carbonyl)-4-thia-1-azabicyclo[3.2.0]hept-2-en-7-one?
The InChIKey is UYFGVADUVUYAFU-SECBINFHSA-N. The full InChI is InChI=1S/C10H12N2O2S/c13-8-5-9-12(8)7(6-15-9)10(14)11-3-1-2-4-11/h6,9H,1-5H2/t9-/m1/s1.
What are the key properties of (5R)-2-(pyrrolidine-1-carbonyl)-4-thia-1-azabicyclo[3.2.0]hept-2-en-7-one?
(5R)-2-(pyrrolidine-1-carbonyl)-4-thia-1-azabicyclo[3.2.0]hept-2-en-7-one has a molecular weight of 224.28 g/mol, XLogP of 0.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(pyrrolidine-1-carbonyl)-4-thia-1-azabicyclo[3.2.0]hept-2-en-7-one is sourced from PubChem (CID 67837837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).