[(2R)-pyrrolidin-2-yl]methyl N-cyclohexylcarbamate

C12H22N2O2 — CID 97048112

IUPAC[(2R)-pyrrolidin-2-yl]methyl N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)OC[C@H]1CCCN1
InChIInChI=1S/C12H22N2O2/c15-12(14-10-5-2-1-3-6-10)16-9-11-7-4-8-13-11/h10-11,13H,1-9H2,(H,14,15)/t11-/m1/s1
InChIKeyMJTQAKWQSBCIFP-LLVKDONJSA-N
MW226.32 g/mol
LogP1.80
Rot. Bonds3

About [(2R)-pyrrolidin-2-yl]methyl N-cyclohexylcarbamate

[(2R)-pyrrolidin-2-yl]methyl N-cyclohexylcarbamate (PubChem CID 97048112) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is [(2R)-pyrrolidin-2-yl]methyl N-cyclohexylcarbamate.

Molecular Properties

Compound Name[(2R)-pyrrolidin-2-yl]methyl N-cyclohexylcarbamate
PubChem CID97048112
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name[(2R)-pyrrolidin-2-yl]methyl N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)OC[C@H]1CCCN1
InChIInChI=1S/C12H22N2O2/c15-12(14-10-5-2-1-3-6-10)16-9-11-7-4-8-13-11/h10-11,13H,1-9H2,(H,14,15)/t11-/m1/s1
InChIKeyMJTQAKWQSBCIFP-LLVKDONJSA-N
XLogP1.80
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclooctyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119674142
[(2S)-pyrrolidin-2-yl]methyl carbamate;hydrochloride
CID 139649266
pyrrolidin-2-ylmethyl carbonochloridate
CID 175149666
N-cycloheptyl-2-piperidin-2-ylacetamide
CID 43346201
2-aminoethyl N-cyclohexylcarbamate;molecular hydrogen
CID 159671742
piperidin-2-ylmethyl N-butylcarbamate
CID 79337301
pyrrolidin-2-ylmethyl 2-methylpropanoate
CID 20612613
pyrrolidin-2-ylmethyl azepane-1-carboxylate
CID 79337608
N'-cyclopentyl-N-[[(2R)-pyrrolidin-2-yl]methyl]oxamide
CID 167012644
(1,1-dioxo-1,5,2-dithiazepan-3-yl)methyl N-cyclohexylcarbamate
CID 75632443
ethyl pyrrolidin-2-ylmethyl carbonate
CID 79337609
[(2S)-pyrrolidin-2-yl]methyl N,N-dimethylcarbamate
CID 90890613

Frequently Asked Questions

What is the IUPAC name of [(2R)-pyrrolidin-2-yl]methyl N-cyclohexylcarbamate?
The IUPAC name of [(2R)-pyrrolidin-2-yl]methyl N-cyclohexylcarbamate (CID 97048112) is [(2R)-pyrrolidin-2-yl]methyl N-cyclohexylcarbamate.
What is the SMILES notation for [(2R)-pyrrolidin-2-yl]methyl N-cyclohexylcarbamate?
The canonical SMILES for [(2R)-pyrrolidin-2-yl]methyl N-cyclohexylcarbamate is O=C(NC1CCCCC1)OC[C@H]1CCCN1.
What is the InChIKey of [(2R)-pyrrolidin-2-yl]methyl N-cyclohexylcarbamate?
The InChIKey is MJTQAKWQSBCIFP-LLVKDONJSA-N. The full InChI is InChI=1S/C12H22N2O2/c15-12(14-10-5-2-1-3-6-10)16-9-11-7-4-8-13-11/h10-11,13H,1-9H2,(H,14,15)/t11-/m1/s1.
What are the key properties of [(2R)-pyrrolidin-2-yl]methyl N-cyclohexylcarbamate?
[(2R)-pyrrolidin-2-yl]methyl N-cyclohexylcarbamate has a molecular weight of 226.32 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-pyrrolidin-2-yl]methyl N-cyclohexylcarbamate is sourced from PubChem (CID 97048112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).