(2S)-1-(cyclohexen-1-yl)pyrrolidine-2-carboxylate

C11H16NO2- — CID 134943539

IUPAC(2S)-1-(cyclohexen-1-yl)pyrrolidine-2-carboxylate
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)/p-1/t10-/m0/s1
InChIKeyFGOQJKISPWOYSX-JTQLQIEISA-M
MW194.25 g/mol
LogP0.66
Rot. Bonds2

About (2S)-1-(cyclohexen-1-yl)pyrrolidine-2-carboxylate

(2S)-1-(cyclohexen-1-yl)pyrrolidine-2-carboxylate (PubChem CID 134943539) has the molecular formula C11H16NO2- and a molecular weight of 194.25 g/mol. Its IUPAC name is (2S)-1-(cyclohexen-1-yl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Name(2S)-1-(cyclohexen-1-yl)pyrrolidine-2-carboxylate
PubChem CID134943539
Molecular FormulaC11H16NO2-
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC Name(2S)-1-(cyclohexen-1-yl)pyrrolidine-2-carboxylate
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)/p-1/t10-/m0/s1
InChIKeyFGOQJKISPWOYSX-JTQLQIEISA-M
XLogP0.66
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-1-(cyclohexen-1-yl)pyrrolidine-2-carboxylate
CID 15470676
methyl (2S)-1-cyclohex-2-en-1-ylpyrrolidine-2-carboxylate
CID 56791545
methyl (2S)-1-[(1R)-cyclohex-2-en-1-yl]pyrrolidine-2-carboxylate
CID 95628938
methyl (2S)-1-[(1S)-cyclohex-2-en-1-yl]pyrrolidine-2-carboxylate
CID 95628939
(2S)-1-(cyclohexen-1-yl)pyrrolidine-2-carboxylic acid
CID 101234963
(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-[(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

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(cyclohexen-1-yl)pyrrolidine-2-carboxylate?
The IUPAC name of (2S)-1-(cyclohexen-1-yl)pyrrolidine-2-carboxylate (CID 134943539) is (2S)-1-(cyclohexen-1-yl)pyrrolidine-2-carboxylate.
What is the SMILES notation for (2S)-1-(cyclohexen-1-yl)pyrrolidine-2-carboxylate?
The canonical SMILES for (2S)-1-(cyclohexen-1-yl)pyrrolidine-2-carboxylate is O=C([O-])[C@@H]1CCCN1C1=CCCCC1.
What is the InChIKey of (2S)-1-(cyclohexen-1-yl)pyrrolidine-2-carboxylate?
The InChIKey is FGOQJKISPWOYSX-JTQLQIEISA-M. 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)/p-1/t10-/m0/s1.
What are the key properties of (2S)-1-(cyclohexen-1-yl)pyrrolidine-2-carboxylate?
(2S)-1-(cyclohexen-1-yl)pyrrolidine-2-carboxylate has a molecular weight of 194.25 g/mol, XLogP of 0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(cyclohexen-1-yl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 134943539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).