carbon dioxide;(4R)-4-(5-methylthiophen-2-yl)pyrrolidin-2-one

C10H11NO3S — CID 160524844

IUPACcarbon dioxide;(4R)-4-(5-methylthiophen-2-yl)pyrrolidin-2-one
SMILESCc1ccc([C@H]2CNC(=O)C2)s1.O=C=O
InChIInChI=1S/C9H11NOS.CO2/c1-6-2-3-8(12-6)7-4-9(11)10-5-7;2-1-3/h2-3,7H,4-5H2,1H3,(H,10,11);/t7-;/m1./s1
InChIKeyQUTGHVQCDSOBMH-OGFXRTJISA-N
MW225.27 g/mol
LogP1.08
Rot. Bonds1

About carbon dioxide;(4R)-4-(5-methylthiophen-2-yl)pyrrolidin-2-one

carbon dioxide;(4R)-4-(5-methylthiophen-2-yl)pyrrolidin-2-one (PubChem CID 160524844) has the molecular formula C10H11NO3S and a molecular weight of 225.27 g/mol. Its IUPAC name is carbon dioxide;(4R)-4-(5-methylthiophen-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Namecarbon dioxide;(4R)-4-(5-methylthiophen-2-yl)pyrrolidin-2-one
PubChem CID160524844
Molecular FormulaC10H11NO3S
Molecular Weight225.27 g/mol
Exact Mass225.05
IUPAC Namecarbon dioxide;(4R)-4-(5-methylthiophen-2-yl)pyrrolidin-2-one
SMILESCc1ccc([C@H]2CNC(=O)C2)s1.O=C=O
InChIInChI=1S/C9H11NOS.CO2/c1-6-2-3-8(12-6)7-4-9(11)10-5-7;2-1-3/h2-3,7H,4-5H2,1H3,(H,10,11);/t7-;/m1./s1
InChIKeyQUTGHVQCDSOBMH-OGFXRTJISA-N
XLogP1.08
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of carbon dioxide;(4R)-4-(5-methylthiophen-2-yl)pyrrolidin-2-one?
The IUPAC name of carbon dioxide;(4R)-4-(5-methylthiophen-2-yl)pyrrolidin-2-one (CID 160524844) is carbon dioxide;(4R)-4-(5-methylthiophen-2-yl)pyrrolidin-2-one.
What is the SMILES notation for carbon dioxide;(4R)-4-(5-methylthiophen-2-yl)pyrrolidin-2-one?
The canonical SMILES for carbon dioxide;(4R)-4-(5-methylthiophen-2-yl)pyrrolidin-2-one is Cc1ccc([C@H]2CNC(=O)C2)s1.O=C=O.
What is the InChIKey of carbon dioxide;(4R)-4-(5-methylthiophen-2-yl)pyrrolidin-2-one?
The InChIKey is QUTGHVQCDSOBMH-OGFXRTJISA-N. The full InChI is InChI=1S/C9H11NOS.CO2/c1-6-2-3-8(12-6)7-4-9(11)10-5-7;2-1-3/h2-3,7H,4-5H2,1H3,(H,10,11);/t7-;/m1./s1.
What are the key properties of carbon dioxide;(4R)-4-(5-methylthiophen-2-yl)pyrrolidin-2-one?
carbon dioxide;(4R)-4-(5-methylthiophen-2-yl)pyrrolidin-2-one has a molecular weight of 225.27 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;(4R)-4-(5-methylthiophen-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 160524844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).