[2-(5-chlorothiophen-2-yl)-5-oxopyrrolidin-3-yl]carbamic acid

C9H9ClN2O3S — CID 155225011

IUPAC[2-(5-chlorothiophen-2-yl)-5-oxopyrrolidin-3-yl]carbamic acid
SMILESO=C(O)NC1CC(=O)NC1c1ccc(Cl)s1
InChIInChI=1S/C9H9ClN2O3S/c10-6-2-1-5(16-6)8-4(11-9(14)15)3-7(13)12-8/h1-2,4,8,11H,3H2,(H,12,13)(H,14,15)
InChIKeyUZTDGUGPYPZHDC-UHFFFAOYSA-N
MW260.70 g/mol
LogP1.60
Rot. Bonds2

About [2-(5-chlorothiophen-2-yl)-5-oxopyrrolidin-3-yl]carbamic acid

[2-(5-chlorothiophen-2-yl)-5-oxopyrrolidin-3-yl]carbamic acid (PubChem CID 155225011) has the molecular formula C9H9ClN2O3S and a molecular weight of 260.70 g/mol. Its IUPAC name is [2-(5-chlorothiophen-2-yl)-5-oxopyrrolidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[2-(5-chlorothiophen-2-yl)-5-oxopyrrolidin-3-yl]carbamic acid
PubChem CID155225011
Molecular FormulaC9H9ClN2O3S
Molecular Weight260.70 g/mol
Exact Mass260.00
IUPAC Name[2-(5-chlorothiophen-2-yl)-5-oxopyrrolidin-3-yl]carbamic acid
SMILESO=C(O)NC1CC(=O)NC1c1ccc(Cl)s1
InChIInChI=1S/C9H9ClN2O3S/c10-6-2-1-5(16-6)8-4(11-9(14)15)3-7(13)12-8/h1-2,4,8,11H,3H2,(H,12,13)(H,14,15)
InChIKeyUZTDGUGPYPZHDC-UHFFFAOYSA-N
XLogP1.60
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.70
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(5-chlorothiophen-2-yl)-5-oxopyrrolidin-3-yl]carbamic acid?
The IUPAC name of [2-(5-chlorothiophen-2-yl)-5-oxopyrrolidin-3-yl]carbamic acid (CID 155225011) is [2-(5-chlorothiophen-2-yl)-5-oxopyrrolidin-3-yl]carbamic acid.
What is the SMILES notation for [2-(5-chlorothiophen-2-yl)-5-oxopyrrolidin-3-yl]carbamic acid?
The canonical SMILES for [2-(5-chlorothiophen-2-yl)-5-oxopyrrolidin-3-yl]carbamic acid is O=C(O)NC1CC(=O)NC1c1ccc(Cl)s1.
What is the InChIKey of [2-(5-chlorothiophen-2-yl)-5-oxopyrrolidin-3-yl]carbamic acid?
The InChIKey is UZTDGUGPYPZHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O3S/c10-6-2-1-5(16-6)8-4(11-9(14)15)3-7(13)12-8/h1-2,4,8,11H,3H2,(H,12,13)(H,14,15).
What are the key properties of [2-(5-chlorothiophen-2-yl)-5-oxopyrrolidin-3-yl]carbamic acid?
[2-(5-chlorothiophen-2-yl)-5-oxopyrrolidin-3-yl]carbamic acid has a molecular weight of 260.70 g/mol, XLogP of 1.60, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chlorothiophen-2-yl)-5-oxopyrrolidin-3-yl]carbamic acid is sourced from PubChem (CID 155225011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).