(4R,5R,6S)-4,6-dimethyl-5-propan-2-yl-1,3-oxazinan-2-one

C9H17NO2 — CID 11182889

IUPAC(4R,5R,6S)-4,6-dimethyl-5-propan-2-yl-1,3-oxazinan-2-one
SMILESCC(C)[C@H]1[C@H](C)OC(=O)N[C@@H]1C
InChIInChI=1S/C9H17NO2/c1-5(2)8-6(3)10-9(11)12-7(8)4/h5-8H,1-4H3,(H,10,11)/t6-,7+,8-/m1/s1
InChIKeyXGJRMMALNTXPCE-GJMOJQLCSA-N
MW171.24 g/mol
LogP1.78
Rot. Bonds1

About (4R,5R,6S)-4,6-dimethyl-5-propan-2-yl-1,3-oxazinan-2-one

(4R,5R,6S)-4,6-dimethyl-5-propan-2-yl-1,3-oxazinan-2-one (PubChem CID 11182889) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (4R,5R,6S)-4,6-dimethyl-5-propan-2-yl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(4R,5R,6S)-4,6-dimethyl-5-propan-2-yl-1,3-oxazinan-2-one
PubChem CID11182889
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(4R,5R,6S)-4,6-dimethyl-5-propan-2-yl-1,3-oxazinan-2-one
SMILESCC(C)[C@H]1[C@H](C)OC(=O)N[C@@H]1C
InChIInChI=1S/C9H17NO2/c1-5(2)8-6(3)10-9(11)12-7(8)4/h5-8H,1-4H3,(H,10,11)/t6-,7+,8-/m1/s1
InChIKeyXGJRMMALNTXPCE-GJMOJQLCSA-N
XLogP1.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R,5R,6S)-4,6-dimethyl-5-propan-2-yl-1,3-oxazinan-2-one?
The IUPAC name of (4R,5R,6S)-4,6-dimethyl-5-propan-2-yl-1,3-oxazinan-2-one (CID 11182889) is (4R,5R,6S)-4,6-dimethyl-5-propan-2-yl-1,3-oxazinan-2-one.
What is the SMILES notation for (4R,5R,6S)-4,6-dimethyl-5-propan-2-yl-1,3-oxazinan-2-one?
The canonical SMILES for (4R,5R,6S)-4,6-dimethyl-5-propan-2-yl-1,3-oxazinan-2-one is CC(C)[C@H]1[C@H](C)OC(=O)N[C@@H]1C.
What is the InChIKey of (4R,5R,6S)-4,6-dimethyl-5-propan-2-yl-1,3-oxazinan-2-one?
The InChIKey is XGJRMMALNTXPCE-GJMOJQLCSA-N. The full InChI is InChI=1S/C9H17NO2/c1-5(2)8-6(3)10-9(11)12-7(8)4/h5-8H,1-4H3,(H,10,11)/t6-,7+,8-/m1/s1.
What are the key properties of (4R,5R,6S)-4,6-dimethyl-5-propan-2-yl-1,3-oxazinan-2-one?
(4R,5R,6S)-4,6-dimethyl-5-propan-2-yl-1,3-oxazinan-2-one has a molecular weight of 171.24 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R,6S)-4,6-dimethyl-5-propan-2-yl-1,3-oxazinan-2-one is sourced from PubChem (CID 11182889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).