(4R,6S)-4-ethyl-6-(2-methylpropyl)-1,3-oxazinan-2-one

C10H19NO2 — CID 11389810

IUPAC(4R,6S)-4-ethyl-6-(2-methylpropyl)-1,3-oxazinan-2-one
SMILESCC[C@@H]1C[C@H](CC(C)C)OC(=O)N1
InChIInChI=1S/C10H19NO2/c1-4-8-6-9(5-7(2)3)13-10(12)11-8/h7-9H,4-6H2,1-3H3,(H,11,12)/t8-,9+/m1/s1
InChIKeyTXBVUMFHVXSYHH-BDAKNGLRSA-N
MW185.27 g/mol
LogP2.31
Rot. Bonds3

About (4R,6S)-4-ethyl-6-(2-methylpropyl)-1,3-oxazinan-2-one

(4R,6S)-4-ethyl-6-(2-methylpropyl)-1,3-oxazinan-2-one (PubChem CID 11389810) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (4R,6S)-4-ethyl-6-(2-methylpropyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(4R,6S)-4-ethyl-6-(2-methylpropyl)-1,3-oxazinan-2-one
PubChem CID11389810
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(4R,6S)-4-ethyl-6-(2-methylpropyl)-1,3-oxazinan-2-one
SMILESCC[C@@H]1C[C@H](CC(C)C)OC(=O)N1
InChIInChI=1S/C10H19NO2/c1-4-8-6-9(5-7(2)3)13-10(12)11-8/h7-9H,4-6H2,1-3H3,(H,11,12)/t8-,9+/m1/s1
InChIKeyTXBVUMFHVXSYHH-BDAKNGLRSA-N
XLogP2.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-propylpentyl N-cyclohexylcarbamate
CID 57342031
(4S,5S)-5-methyl-4-propan-2-yl-1,3-oxazinan-2-one
CID 102164344
(4R)-4-[(2S)-butan-2-yl]-1,3-oxazinan-2-one
CID 134968305
4-(2-Methylpropyl)-3,4,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-2-one
CID 5124943
6-Pentyl-1,3-oxazinan-2-one
CID 85528985
(4S,6S)-4-cyclohexyl-6-(2-methylpropyl)-1,3-oxazinan-2-one
CID 101155621
(2,2,6,6-tetramethylpiperidin-4-yl) N-propylcarbamate
CID 19790573
4-(6-Methylheptan-2-ylcarbamoyloxy)piperidine-1-carboxylic acid
CID 19807176
(1,2,2,6,6-pentamethylpiperidin-4-yl) N-octadecylcarbamate
CID 20492254
(1,2,2,6,6-pentamethylpiperidin-4-yl) N-propan-2-ylcarbamate
CID 20492299
(1-butan-2-yl-2,2,6,6-tetramethylpiperidin-4-yl) N-methylcarbamate
CID 20492479
(1,2,2,6,6-pentamethylpiperidin-4-yl) N-(2-ethylhexyl)carbamate
CID 20492502

Frequently Asked Questions

What is the IUPAC name of (4R,6S)-4-ethyl-6-(2-methylpropyl)-1,3-oxazinan-2-one?
The IUPAC name of (4R,6S)-4-ethyl-6-(2-methylpropyl)-1,3-oxazinan-2-one (CID 11389810) is (4R,6S)-4-ethyl-6-(2-methylpropyl)-1,3-oxazinan-2-one.
What is the SMILES notation for (4R,6S)-4-ethyl-6-(2-methylpropyl)-1,3-oxazinan-2-one?
The canonical SMILES for (4R,6S)-4-ethyl-6-(2-methylpropyl)-1,3-oxazinan-2-one is CC[C@@H]1C[C@H](CC(C)C)OC(=O)N1.
What is the InChIKey of (4R,6S)-4-ethyl-6-(2-methylpropyl)-1,3-oxazinan-2-one?
The InChIKey is TXBVUMFHVXSYHH-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-8-6-9(5-7(2)3)13-10(12)11-8/h7-9H,4-6H2,1-3H3,(H,11,12)/t8-,9+/m1/s1.
What are the key properties of (4R,6S)-4-ethyl-6-(2-methylpropyl)-1,3-oxazinan-2-one?
(4R,6S)-4-ethyl-6-(2-methylpropyl)-1,3-oxazinan-2-one has a molecular weight of 185.27 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-4-ethyl-6-(2-methylpropyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 11389810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).