bicyclo[2.2.0]hexa-1,3,5-triene;pyrrolidine-2-carboxylic acid

C11H13NO2 — CID 70124841

IUPACbicyclo[2.2.0]hexa-1,3,5-triene;pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1.c1cc2ccc1-2
InChIInChI=1S/C6H4.C5H9NO2/c1-2-6-4-3-5(1)6;7-5(8)4-2-1-3-6-4/h1-4H;4,6H,1-3H2,(H,7,8)
InChIKeyPNQDLBZTKQCWBP-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.49
Rot. Bonds1

About bicyclo[2.2.0]hexa-1,3,5-triene;pyrrolidine-2-carboxylic acid

bicyclo[2.2.0]hexa-1,3,5-triene;pyrrolidine-2-carboxylic acid (PubChem CID 70124841) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is bicyclo[2.2.0]hexa-1,3,5-triene;pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Namebicyclo[2.2.0]hexa-1,3,5-triene;pyrrolidine-2-carboxylic acid
PubChem CID70124841
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Namebicyclo[2.2.0]hexa-1,3,5-triene;pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1.c1cc2ccc1-2
InChIInChI=1S/C6H4.C5H9NO2/c1-2-6-4-3-5(1)6;7-5(8)4-2-1-3-6-4/h1-4H;4,6H,1-3H2,(H,7,8)
InChIKeyPNQDLBZTKQCWBP-UHFFFAOYSA-N
XLogP1.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 145362144
CID 145362144
hydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid
CID 158114560
pyrrolidine-2-carboxylic acid
CID 614
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CID 10290769
argon;(2S)-pyrrolidine-2-carboxylic acid
CID 160825816
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
aluminum;pyrrolidine-2-carboxylic acid;zirconium(2+)
CID 19939640

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;pyrrolidine-2-carboxylic acid?
The IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;pyrrolidine-2-carboxylic acid (CID 70124841) is bicyclo[2.2.0]hexa-1,3,5-triene;pyrrolidine-2-carboxylic acid.
What is the SMILES notation for bicyclo[2.2.0]hexa-1,3,5-triene;pyrrolidine-2-carboxylic acid?
The canonical SMILES for bicyclo[2.2.0]hexa-1,3,5-triene;pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1.c1cc2ccc1-2.
What is the InChIKey of bicyclo[2.2.0]hexa-1,3,5-triene;pyrrolidine-2-carboxylic acid?
The InChIKey is PNQDLBZTKQCWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4.C5H9NO2/c1-2-6-4-3-5(1)6;7-5(8)4-2-1-3-6-4/h1-4H;4,6H,1-3H2,(H,7,8).
What are the key properties of bicyclo[2.2.0]hexa-1,3,5-triene;pyrrolidine-2-carboxylic acid?
bicyclo[2.2.0]hexa-1,3,5-triene;pyrrolidine-2-carboxylic acid has a molecular weight of 191.23 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.0]hexa-1,3,5-triene;pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 70124841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).