(2-methylcyclohexyl) pyrrolidine-2-carboxylate

C12H21NO2 — CID 60716745

IUPAC(2-methylcyclohexyl) pyrrolidine-2-carboxylate
SMILESCC1CCCCC1OC(=O)C1CCCN1
InChIInChI=1S/C12H21NO2/c1-9-5-2-3-7-11(9)15-12(14)10-6-4-8-13-10/h9-11,13H,2-8H2,1H3
InChIKeyDCDGTWPPPZODSY-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.86
Rot. Bonds2

About (2-methylcyclohexyl) pyrrolidine-2-carboxylate

(2-methylcyclohexyl) pyrrolidine-2-carboxylate (PubChem CID 60716745) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is (2-methylcyclohexyl) pyrrolidine-2-carboxylate.

Molecular Properties

Compound Name(2-methylcyclohexyl) pyrrolidine-2-carboxylate
PubChem CID60716745
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name(2-methylcyclohexyl) pyrrolidine-2-carboxylate
SMILESCC1CCCCC1OC(=O)C1CCCN1
InChIInChI=1S/C12H21NO2/c1-9-5-2-3-7-11(9)15-12(14)10-6-4-8-13-10/h9-11,13H,2-8H2,1H3
InChIKeyDCDGTWPPPZODSY-UHFFFAOYSA-N
XLogP1.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-ethylcyclohexyl) (2S)-piperidine-2-carboxylate
CID 66263376
(2-methylcyclohexyl) piperidine-4-carboxylate
CID 61277227
[(2R)-pyrrolidin-2-yl] (2R)-pyrrolidine-2-carboxylate
CID 162533154
(3,5-dimethylcyclohexyl) piperidine-2-carboxylate
CID 64732036
(2-ethylcyclohexyl) 3-methylpiperidine-2-carboxylate
CID 107071125
cycloheptyl (2R)-piperidine-2-carboxylate
CID 79034969
(5-methyl-2-propan-2-ylcyclohexyl) (2R)-pyrrolidine-2-carboxylate
CID 55148914
[(2S)-pyrrolidine-2-carbonyl] (2S)-pyrrolidine-2-carboxylate
CID 57156307
tert-butyl (2R)-pyrrolidine-2-carboxylate
CID 6931635
cycloheptyl azetidine-2-carboxylate
CID 131025825
[(1R,2R)-2-methylcyclohexyl] acetate
CID 12705473
(2-methylcyclohexyl) propanoate
CID 546179

Frequently Asked Questions

What is the IUPAC name of (2-methylcyclohexyl) pyrrolidine-2-carboxylate?
The IUPAC name of (2-methylcyclohexyl) pyrrolidine-2-carboxylate (CID 60716745) is (2-methylcyclohexyl) pyrrolidine-2-carboxylate.
What is the SMILES notation for (2-methylcyclohexyl) pyrrolidine-2-carboxylate?
The canonical SMILES for (2-methylcyclohexyl) pyrrolidine-2-carboxylate is CC1CCCCC1OC(=O)C1CCCN1.
What is the InChIKey of (2-methylcyclohexyl) pyrrolidine-2-carboxylate?
The InChIKey is DCDGTWPPPZODSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9-5-2-3-7-11(9)15-12(14)10-6-4-8-13-10/h9-11,13H,2-8H2,1H3.
What are the key properties of (2-methylcyclohexyl) pyrrolidine-2-carboxylate?
(2-methylcyclohexyl) pyrrolidine-2-carboxylate has a molecular weight of 211.30 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclohexyl) pyrrolidine-2-carboxylate is sourced from PubChem (CID 60716745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).