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

C12H19NO2 — CID 15470676

IUPACmethyl (2S)-1-(cyclohexen-1-yl)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCN1C1=CCCCC1
InChIInChI=1S/C12H19NO2/c1-15-12(14)11-8-5-9-13(11)10-6-3-2-4-7-10/h6,11H,2-5,7-9H2,1H3/t11-/m0/s1
InChIKeyPCVVCIIZNQSLAY-NSHDSACASA-N
MW209.29 g/mol
LogP2.08
Rot. Bonds2

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

methyl (2S)-1-(cyclohexen-1-yl)pyrrolidine-2-carboxylate (PubChem CID 15470676) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is methyl (2S)-1-(cyclohexen-1-yl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-1-(cyclohexen-1-yl)pyrrolidine-2-carboxylate
PubChem CID15470676
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Namemethyl (2S)-1-(cyclohexen-1-yl)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCN1C1=CCCCC1
InChIInChI=1S/C12H19NO2/c1-15-12(14)11-8-5-9-13(11)10-6-3-2-4-7-10/h6,11H,2-5,7-9H2,1H3/t11-/m0/s1
InChIKeyPCVVCIIZNQSLAY-NSHDSACASA-N
XLogP2.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-1-[(E,3S)-hept-4-en-3-yl]pyrrolidine-2-carboxylate
CID 154721737
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-[(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
(2S)-1-[(6S)-6-methylcyclohexen-1-yl]pyrrolidine-2-carboxylic acid
CID 134863392

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-1-(cyclohexen-1-yl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S)-1-(cyclohexen-1-yl)pyrrolidine-2-carboxylate (CID 15470676) is methyl (2S)-1-(cyclohexen-1-yl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S)-1-(cyclohexen-1-yl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S)-1-(cyclohexen-1-yl)pyrrolidine-2-carboxylate is COC(=O)[C@@H]1CCCN1C1=CCCCC1.
What is the InChIKey of methyl (2S)-1-(cyclohexen-1-yl)pyrrolidine-2-carboxylate?
The InChIKey is PCVVCIIZNQSLAY-NSHDSACASA-N. The full InChI is InChI=1S/C12H19NO2/c1-15-12(14)11-8-5-9-13(11)10-6-3-2-4-7-10/h6,11H,2-5,7-9H2,1H3/t11-/m0/s1.
What are the key properties of methyl (2S)-1-(cyclohexen-1-yl)pyrrolidine-2-carboxylate?
methyl (2S)-1-(cyclohexen-1-yl)pyrrolidine-2-carboxylate has a molecular weight of 209.29 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-1-(cyclohexen-1-yl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 15470676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).