bicyclo[2.2.1]hept-1-ene;pyrrolidine-2-carboxylic acid

C12H19NO2 — CID 137424422

IUPACbicyclo[2.2.1]hept-1-ene;pyrrolidine-2-carboxylic acid
SMILESC1=C2CCC(C1)C2.O=C(O)C1CCCN1
InChIInChI=1S/C7H10.C5H9NO2/c1-2-7-4-3-6(1)5-7;7-5(8)4-2-1-3-6-4/h1,7H,2-5H2;4,6H,1-3H2,(H,7,8)
InChIKeyJASHAWSCIVXPNA-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.94
Rot. Bonds1

About bicyclo[2.2.1]hept-1-ene;pyrrolidine-2-carboxylic acid

bicyclo[2.2.1]hept-1-ene;pyrrolidine-2-carboxylic acid (PubChem CID 137424422) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is bicyclo[2.2.1]hept-1-ene;pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Namebicyclo[2.2.1]hept-1-ene;pyrrolidine-2-carboxylic acid
PubChem CID137424422
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Namebicyclo[2.2.1]hept-1-ene;pyrrolidine-2-carboxylic acid
SMILESC1=C2CCC(C1)C2.O=C(O)C1CCCN1
InChIInChI=1S/C7H10.C5H9NO2/c1-2-7-4-3-6(1)5-7;7-5(8)4-2-1-3-6-4/h1,7H,2-5H2;4,6H,1-3H2,(H,7,8)
InChIKeyJASHAWSCIVXPNA-UHFFFAOYSA-N
XLogP1.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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
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
bicyclo[2.2.0]hexa-1,3,5-triene;pyrrolidine-2-carboxylic acid
CID 70124841
sodium;pyrrolidine-2-carboxylic acid;chloride
CID 68997199

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.1]hept-1-ene;pyrrolidine-2-carboxylic acid?
The IUPAC name of bicyclo[2.2.1]hept-1-ene;pyrrolidine-2-carboxylic acid (CID 137424422) is bicyclo[2.2.1]hept-1-ene;pyrrolidine-2-carboxylic acid.
What is the SMILES notation for bicyclo[2.2.1]hept-1-ene;pyrrolidine-2-carboxylic acid?
The canonical SMILES for bicyclo[2.2.1]hept-1-ene;pyrrolidine-2-carboxylic acid is C1=C2CCC(C1)C2.O=C(O)C1CCCN1.
What is the InChIKey of bicyclo[2.2.1]hept-1-ene;pyrrolidine-2-carboxylic acid?
The InChIKey is JASHAWSCIVXPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10.C5H9NO2/c1-2-7-4-3-6(1)5-7;7-5(8)4-2-1-3-6-4/h1,7H,2-5H2;4,6H,1-3H2,(H,7,8).
What are the key properties of bicyclo[2.2.1]hept-1-ene;pyrrolidine-2-carboxylic acid?
bicyclo[2.2.1]hept-1-ene;pyrrolidine-2-carboxylic acid has a molecular weight of 209.29 g/mol, XLogP of 1.94, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.1]hept-1-ene;pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 137424422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).