(2S)-1-(cyclohexen-1-yl)pyrrolidine-2-carboxylic acid

C11H17NO2 — CID 101234963

IUPAC(2S)-1-(cyclohexen-1-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C1=CCCCC1
InChIInChI=1S/C11H17NO2/c13-11(14)10-7-4-8-12(10)9-5-2-1-3-6-9/h5,10H,1-4,6-8H2,(H,13,14)/t10-/m0/s1
InChIKeyFGOQJKISPWOYSX-JTQLQIEISA-N
MW195.26 g/mol
LogP1.99
Rot. Bonds2

About (2S)-1-(cyclohexen-1-yl)pyrrolidine-2-carboxylic acid

(2S)-1-(cyclohexen-1-yl)pyrrolidine-2-carboxylic acid (PubChem CID 101234963) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is (2S)-1-(cyclohexen-1-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(cyclohexen-1-yl)pyrrolidine-2-carboxylic acid
PubChem CID101234963
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name(2S)-1-(cyclohexen-1-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C1=CCCCC1
InChIInChI=1S/C11H17NO2/c13-11(14)10-7-4-8-12(10)9-5-2-1-3-6-9/h5,10H,1-4,6-8H2,(H,13,14)/t10-/m0/s1
InChIKeyFGOQJKISPWOYSX-JTQLQIEISA-N
XLogP1.99
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrrolidine-2-carboxylic acid
CID 122572708
methyl (2S)-1-(cyclohexen-1-yl)pyrrolidine-2-carboxylate
CID 15470676
(2S)-1-[(Z)-4-oxopent-2-en-2-yl]pyrrolidine-2-carboxylic acid
CID 133634134
(2S)-1-(cyclopenten-1-yl)pyrrolidine-2-carboxylic acid
CID 134850380
(2S)-1-[(5R)-5-methylcyclohexen-1-yl]pyrrolidine-2-carboxylic acid
CID 134850992
(2S)-1-(2-methylcyclohexen-1-yl)pyrrolidine-2-carboxylic acid
CID 134853793
(2S)-1-[(4S)-4-methylcyclohexen-1-yl]pyrrolidine-2-carboxylic acid
CID 134853798
(2S)-1-[(3S)-3-methylcyclohexen-1-yl]pyrrolidine-2-carboxylic acid
CID 134853838
(2S)-1-[(3R)-3-methylcyclohexen-1-yl]pyrrolidine-2-carboxylic acid
CID 134853962
(2S)-1-[(6R)-6-methylcyclohexen-1-yl]pyrrolidine-2-carboxylic acid
CID 134854345
(2S)-1-(4-methylcyclohexen-1-yl)pyrrolidine-2-carboxylic acid
CID 134854347
(2S)-1-[(6S)-6-methylcyclohexen-1-yl]pyrrolidine-2-carboxylic acid
CID 134863392

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(cyclohexen-1-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(cyclohexen-1-yl)pyrrolidine-2-carboxylic acid (CID 101234963) is (2S)-1-(cyclohexen-1-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(cyclohexen-1-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(cyclohexen-1-yl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1C1=CCCCC1.
What is the InChIKey of (2S)-1-(cyclohexen-1-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is FGOQJKISPWOYSX-JTQLQIEISA-N. The full InChI is InChI=1S/C11H17NO2/c13-11(14)10-7-4-8-12(10)9-5-2-1-3-6-9/h5,10H,1-4,6-8H2,(H,13,14)/t10-/m0/s1.
What are the key properties of (2S)-1-(cyclohexen-1-yl)pyrrolidine-2-carboxylic acid?
(2S)-1-(cyclohexen-1-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 195.26 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(cyclohexen-1-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 101234963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).