(3R)-3-[cyclohexylmethyl(methyl)amino]oxolan-2-one

C12H21NO2 — CID 39975197

IUPAC(3R)-3-[cyclohexylmethyl(methyl)amino]oxolan-2-one
SMILESCN(CC1CCCCC1)[C@@H]1CCOC1=O
InChIInChI=1S/C12H21NO2/c1-13(11-7-8-15-12(11)14)9-10-5-3-2-4-6-10/h10-11H,2-9H2,1H3/t11-/m1/s1
InChIKeyXBCDSTFJOPLQQS-LLVKDONJSA-N
MW211.30 g/mol
LogP1.81
Rot. Bonds3

About (3R)-3-[cyclohexylmethyl(methyl)amino]oxolan-2-one

(3R)-3-[cyclohexylmethyl(methyl)amino]oxolan-2-one (PubChem CID 39975197) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is (3R)-3-[cyclohexylmethyl(methyl)amino]oxolan-2-one.

Molecular Properties

Compound Name(3R)-3-[cyclohexylmethyl(methyl)amino]oxolan-2-one
PubChem CID39975197
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name(3R)-3-[cyclohexylmethyl(methyl)amino]oxolan-2-one
SMILESCN(CC1CCCCC1)[C@@H]1CCOC1=O
InChIInChI=1S/C12H21NO2/c1-13(11-7-8-15-12(11)14)9-10-5-3-2-4-6-10/h10-11H,2-9H2,1H3/t11-/m1/s1
InChIKeyXBCDSTFJOPLQQS-LLVKDONJSA-N
XLogP1.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[cyclohexylmethyl(methyl)amino]oxolan-2-one?
The IUPAC name of (3R)-3-[cyclohexylmethyl(methyl)amino]oxolan-2-one (CID 39975197) is (3R)-3-[cyclohexylmethyl(methyl)amino]oxolan-2-one.
What is the SMILES notation for (3R)-3-[cyclohexylmethyl(methyl)amino]oxolan-2-one?
The canonical SMILES for (3R)-3-[cyclohexylmethyl(methyl)amino]oxolan-2-one is CN(CC1CCCCC1)[C@@H]1CCOC1=O.
What is the InChIKey of (3R)-3-[cyclohexylmethyl(methyl)amino]oxolan-2-one?
The InChIKey is XBCDSTFJOPLQQS-LLVKDONJSA-N. The full InChI is InChI=1S/C12H21NO2/c1-13(11-7-8-15-12(11)14)9-10-5-3-2-4-6-10/h10-11H,2-9H2,1H3/t11-/m1/s1.
What are the key properties of (3R)-3-[cyclohexylmethyl(methyl)amino]oxolan-2-one?
(3R)-3-[cyclohexylmethyl(methyl)amino]oxolan-2-one has a molecular weight of 211.30 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[cyclohexylmethyl(methyl)amino]oxolan-2-one is sourced from PubChem (CID 39975197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).