2-nitrosothiophene;pyrrolidine-2-carboxylic acid

C9H12N2O3S — CID 19436882

IUPAC2-nitrosothiophene;pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1.O=Nc1cccs1
InChIInChI=1S/C5H9NO2.C4H3NOS/c7-5(8)4-2-1-3-6-4;6-5-4-2-1-3-7-4/h4,6H,1-3H2,(H,7,8);1-3H
InChIKeyQXGPMHCLQDQTNW-UHFFFAOYSA-N
MW228.27 g/mol
LogP1.97
Rot. Bonds2

About 2-nitrosothiophene;pyrrolidine-2-carboxylic acid

2-nitrosothiophene;pyrrolidine-2-carboxylic acid (PubChem CID 19436882) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is 2-nitrosothiophene;pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-nitrosothiophene;pyrrolidine-2-carboxylic acid
PubChem CID19436882
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Name2-nitrosothiophene;pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1.O=Nc1cccs1
InChIInChI=1S/C5H9NO2.C4H3NOS/c7-5(8)4-2-1-3-6-4;6-5-4-2-1-3-7-4/h4,6H,1-3H2,(H,7,8);1-3H
InChIKeyQXGPMHCLQDQTNW-UHFFFAOYSA-N
XLogP1.97
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

bicyclo[2.2.0]hexa-1,3,5-triene;pyrrolidine-2-carboxylic acid
CID 70124841
hydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid
CID 158114560
pyrrolidine-2-carboxylic acid
CID 614
(213C)azolidine-2-carboxylic acid
CID 10290769
argon;(2S)-pyrrolidine-2-carboxylic acid
CID 160825816
[(2S)-pyrrolidin-2-yl]-thiophen-2-ylmethanone
CID 42076584
potassium (2R)-pyrrolidine-2-carboxylic acid
CID 177481174
pyrrolidine-2-carboxylic acid;yttrium
CID 21344974
(2R)-pyrrolidine-2-carboxylic acid;zinc
CID 175434284
bis((2S)-pyrrolidine-2-carboxylic acid);hydrate
CID 67110713
pyrrolidine-2-carboxylic acid;silver
CID 87701112
carbonic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 70552648

Frequently Asked Questions

What is the IUPAC name of 2-nitrosothiophene;pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-nitrosothiophene;pyrrolidine-2-carboxylic acid (CID 19436882) is 2-nitrosothiophene;pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-nitrosothiophene;pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-nitrosothiophene;pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1.O=Nc1cccs1.
What is the InChIKey of 2-nitrosothiophene;pyrrolidine-2-carboxylic acid?
The InChIKey is QXGPMHCLQDQTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2.C4H3NOS/c7-5(8)4-2-1-3-6-4;6-5-4-2-1-3-7-4/h4,6H,1-3H2,(H,7,8);1-3H.
What are the key properties of 2-nitrosothiophene;pyrrolidine-2-carboxylic acid?
2-nitrosothiophene;pyrrolidine-2-carboxylic acid has a molecular weight of 228.27 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitrosothiophene;pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 19436882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).