methyl 2-pyrrolidin-1-ylcyclohexane-1-carboxylate

C12H21NO2 — CID 14350171

IUPACmethyl 2-pyrrolidin-1-ylcyclohexane-1-carboxylate
SMILESCOC(=O)C1CCCCC1N1CCCC1
InChIInChI=1S/C12H21NO2/c1-15-12(14)10-6-2-3-7-11(10)13-8-4-5-9-13/h10-11H,2-9H2,1H3
InChIKeyAERORHXQCZHFDA-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.81
Rot. Bonds2

About methyl 2-pyrrolidin-1-ylcyclohexane-1-carboxylate

methyl 2-pyrrolidin-1-ylcyclohexane-1-carboxylate (PubChem CID 14350171) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is methyl 2-pyrrolidin-1-ylcyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-pyrrolidin-1-ylcyclohexane-1-carboxylate
PubChem CID14350171
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Namemethyl 2-pyrrolidin-1-ylcyclohexane-1-carboxylate
SMILESCOC(=O)C1CCCCC1N1CCCC1
InChIInChI=1S/C12H21NO2/c1-15-12(14)10-6-2-3-7-11(10)13-8-4-5-9-13/h10-11H,2-9H2,1H3
InChIKeyAERORHXQCZHFDA-UHFFFAOYSA-N
XLogP1.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cis-ethyl (1S,2R)-2-pyrrolidin-1-ylcyclohexane-1-carboxylate
CID 12917208
(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid
CID 7758382
pyrrolidin-1-yl-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]methanone
CID 125474044
2-pyrrolidin-1-ylcyclohexane-1-carbohydrazide;hydrochloride
CID 21276976
methyl 2-(2-methoxycarbonylcyclohexyl)cyclohexane-1-carboxylate
CID 86175836
1,2,3,5,6,7,8,8a-octahydroindolizine-1-carboxylic acid
CID 82653045
trans-(1R,2R)-N-phenyl-2-piperidin-1-ylcyclohexane-1-carboxamide
CID 125470128
1,2,3,5,6,7,8,8a-octahydroindolizine-8-carboxylic acid
CID 75987984
trans-tert-butyl (1S,2S)-2-piperazin-1-ylcyclohexane-1-carboxylate
CID 59992106
methyl 1-(2-ethylcyclohexyl)piperidine-3-carboxylate
CID 115537102
1-azabicyclo[4.2.0]octane-7-carboxylic acid
CID 82651829
(4-chlorophenyl)-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]methanone
CID 125473639

Frequently Asked Questions

What is the IUPAC name of methyl 2-pyrrolidin-1-ylcyclohexane-1-carboxylate?
The IUPAC name of methyl 2-pyrrolidin-1-ylcyclohexane-1-carboxylate (CID 14350171) is methyl 2-pyrrolidin-1-ylcyclohexane-1-carboxylate.
What is the SMILES notation for methyl 2-pyrrolidin-1-ylcyclohexane-1-carboxylate?
The canonical SMILES for methyl 2-pyrrolidin-1-ylcyclohexane-1-carboxylate is COC(=O)C1CCCCC1N1CCCC1.
What is the InChIKey of methyl 2-pyrrolidin-1-ylcyclohexane-1-carboxylate?
The InChIKey is AERORHXQCZHFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-15-12(14)10-6-2-3-7-11(10)13-8-4-5-9-13/h10-11H,2-9H2,1H3.
What are the key properties of methyl 2-pyrrolidin-1-ylcyclohexane-1-carboxylate?
methyl 2-pyrrolidin-1-ylcyclohexane-1-carboxylate has a molecular weight of 211.30 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-pyrrolidin-1-ylcyclohexane-1-carboxylate is sourced from PubChem (CID 14350171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).