(1R)-1,8a-dimethyl-1-propan-2-yl-5,6,7,8-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one

C12H21NO2 — CID 134905586

IUPAC(1R)-1,8a-dimethyl-1-propan-2-yl-5,6,7,8-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
SMILESCC(C)[C@@]1(C)OC(=O)N2CCCCC21C
InChIInChI=1S/C12H21NO2/c1-9(2)12(4)11(3)7-5-6-8-13(11)10(14)15-12/h9H,5-8H2,1-4H3/t11?,12-/m1/s1
InChIKeySVLUNPNADBMOLN-PIJUOVFKSA-N
MW211.30 g/mol
LogP2.80
Rot. Bonds1

About (1R)-1,8a-dimethyl-1-propan-2-yl-5,6,7,8-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one

(1R)-1,8a-dimethyl-1-propan-2-yl-5,6,7,8-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one (PubChem CID 134905586) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is (1R)-1,8a-dimethyl-1-propan-2-yl-5,6,7,8-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one.

Molecular Properties

Compound Name(1R)-1,8a-dimethyl-1-propan-2-yl-5,6,7,8-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
PubChem CID134905586
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name(1R)-1,8a-dimethyl-1-propan-2-yl-5,6,7,8-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
SMILESCC(C)[C@@]1(C)OC(=O)N2CCCCC21C
InChIInChI=1S/C12H21NO2/c1-9(2)12(4)11(3)7-5-6-8-13(11)10(14)15-12/h9H,5-8H2,1-4H3/t11?,12-/m1/s1
InChIKeySVLUNPNADBMOLN-PIJUOVFKSA-N
XLogP2.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1,8a-dimethyl-1-propan-2-yl-5,6,7,8-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one?
The IUPAC name of (1R)-1,8a-dimethyl-1-propan-2-yl-5,6,7,8-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one (CID 134905586) is (1R)-1,8a-dimethyl-1-propan-2-yl-5,6,7,8-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one.
What is the SMILES notation for (1R)-1,8a-dimethyl-1-propan-2-yl-5,6,7,8-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one?
The canonical SMILES for (1R)-1,8a-dimethyl-1-propan-2-yl-5,6,7,8-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one is CC(C)[C@@]1(C)OC(=O)N2CCCCC21C.
What is the InChIKey of (1R)-1,8a-dimethyl-1-propan-2-yl-5,6,7,8-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one?
The InChIKey is SVLUNPNADBMOLN-PIJUOVFKSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9(2)12(4)11(3)7-5-6-8-13(11)10(14)15-12/h9H,5-8H2,1-4H3/t11?,12-/m1/s1.
What are the key properties of (1R)-1,8a-dimethyl-1-propan-2-yl-5,6,7,8-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one?
(1R)-1,8a-dimethyl-1-propan-2-yl-5,6,7,8-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one has a molecular weight of 211.30 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1,8a-dimethyl-1-propan-2-yl-5,6,7,8-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one is sourced from PubChem (CID 134905586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).