5-(1-butylpyrrol-2-yl)-1,3-oxazolidine-2,4-dione

C11H14N2O3 — CID 13052068

IUPAC5-(1-butylpyrrol-2-yl)-1,3-oxazolidine-2,4-dione
SMILESCCCCn1cccc1C1OC(=O)NC1=O
InChIInChI=1S/C11H14N2O3/c1-2-3-6-13-7-4-5-8(13)9-10(14)12-11(15)16-9/h4-5,7,9H,2-3,6H2,1H3,(H,12,14,15)
InChIKeyUFDOTVPYJNVKMC-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.60
Rot. Bonds4

About 5-(1-butylpyrrol-2-yl)-1,3-oxazolidine-2,4-dione

5-(1-butylpyrrol-2-yl)-1,3-oxazolidine-2,4-dione (PubChem CID 13052068) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 5-(1-butylpyrrol-2-yl)-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5-(1-butylpyrrol-2-yl)-1,3-oxazolidine-2,4-dione
PubChem CID13052068
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name5-(1-butylpyrrol-2-yl)-1,3-oxazolidine-2,4-dione
SMILESCCCCn1cccc1C1OC(=O)NC1=O
InChIInChI=1S/C11H14N2O3/c1-2-3-6-13-7-4-5-8(13)9-10(14)12-11(15)16-9/h4-5,7,9H,2-3,6H2,1H3,(H,12,14,15)
InChIKeyUFDOTVPYJNVKMC-UHFFFAOYSA-N
XLogP1.60
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-butylpyrrol-2-yl)-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5-(1-butylpyrrol-2-yl)-1,3-oxazolidine-2,4-dione (CID 13052068) is 5-(1-butylpyrrol-2-yl)-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5-(1-butylpyrrol-2-yl)-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5-(1-butylpyrrol-2-yl)-1,3-oxazolidine-2,4-dione is CCCCn1cccc1C1OC(=O)NC1=O.
What is the InChIKey of 5-(1-butylpyrrol-2-yl)-1,3-oxazolidine-2,4-dione?
The InChIKey is UFDOTVPYJNVKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-2-3-6-13-7-4-5-8(13)9-10(14)12-11(15)16-9/h4-5,7,9H,2-3,6H2,1H3,(H,12,14,15).
What are the key properties of 5-(1-butylpyrrol-2-yl)-1,3-oxazolidine-2,4-dione?
5-(1-butylpyrrol-2-yl)-1,3-oxazolidine-2,4-dione has a molecular weight of 222.24 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-butylpyrrol-2-yl)-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 13052068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).