(2R,3aS)-2-propyl-2,3,3a,4,5,6-hexahydro-[1,2]oxazolo[2,3-a]pyridin-7-one

C10H17NO2 — CID 46845246

IUPAC(2R,3aS)-2-propyl-2,3,3a,4,5,6-hexahydro-[1,2]oxazolo[2,3-a]pyridin-7-one
SMILESCCC[C@@H]1C[C@@H]2CCCC(=O)N2O1
InChIInChI=1S/C10H17NO2/c1-2-4-9-7-8-5-3-6-10(12)11(8)13-9/h8-9H,2-7H2,1H3/t8-,9+/m0/s1
InChIKeyNLPHRTILFCPBJS-DTWKUNHWSA-N
MW183.25 g/mol
LogP1.87
Rot. Bonds2

About (2R,3aS)-2-propyl-2,3,3a,4,5,6-hexahydro-[1,2]oxazolo[2,3-a]pyridin-7-one

(2R,3aS)-2-propyl-2,3,3a,4,5,6-hexahydro-[1,2]oxazolo[2,3-a]pyridin-7-one (PubChem CID 46845246) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (2R,3aS)-2-propyl-2,3,3a,4,5,6-hexahydro-[1,2]oxazolo[2,3-a]pyridin-7-one.

Molecular Properties

Compound Name(2R,3aS)-2-propyl-2,3,3a,4,5,6-hexahydro-[1,2]oxazolo[2,3-a]pyridin-7-one
PubChem CID46845246
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(2R,3aS)-2-propyl-2,3,3a,4,5,6-hexahydro-[1,2]oxazolo[2,3-a]pyridin-7-one
SMILESCCC[C@@H]1C[C@@H]2CCCC(=O)N2O1
InChIInChI=1S/C10H17NO2/c1-2-4-9-7-8-5-3-6-10(12)11(8)13-9/h8-9H,2-7H2,1H3/t8-,9+/m0/s1
InChIKeyNLPHRTILFCPBJS-DTWKUNHWSA-N
XLogP1.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 330389
CID 330389
CID 167154084
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CID 170938801
CID 170938801
CID 170938845
CID 170938845
CID 170938893
CID 170938893
CID 170938942
CID 170938942
CID 72546924
CID 72546924
CID 102110926
CID 102110926
CID 102110927
CID 102110927

Frequently Asked Questions

What is the IUPAC name of (2R,3aS)-2-propyl-2,3,3a,4,5,6-hexahydro-[1,2]oxazolo[2,3-a]pyridin-7-one?
The IUPAC name of (2R,3aS)-2-propyl-2,3,3a,4,5,6-hexahydro-[1,2]oxazolo[2,3-a]pyridin-7-one (CID 46845246) is (2R,3aS)-2-propyl-2,3,3a,4,5,6-hexahydro-[1,2]oxazolo[2,3-a]pyridin-7-one.
What is the SMILES notation for (2R,3aS)-2-propyl-2,3,3a,4,5,6-hexahydro-[1,2]oxazolo[2,3-a]pyridin-7-one?
The canonical SMILES for (2R,3aS)-2-propyl-2,3,3a,4,5,6-hexahydro-[1,2]oxazolo[2,3-a]pyridin-7-one is CCC[C@@H]1C[C@@H]2CCCC(=O)N2O1.
What is the InChIKey of (2R,3aS)-2-propyl-2,3,3a,4,5,6-hexahydro-[1,2]oxazolo[2,3-a]pyridin-7-one?
The InChIKey is NLPHRTILFCPBJS-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-4-9-7-8-5-3-6-10(12)11(8)13-9/h8-9H,2-7H2,1H3/t8-,9+/m0/s1.
What are the key properties of (2R,3aS)-2-propyl-2,3,3a,4,5,6-hexahydro-[1,2]oxazolo[2,3-a]pyridin-7-one?
(2R,3aS)-2-propyl-2,3,3a,4,5,6-hexahydro-[1,2]oxazolo[2,3-a]pyridin-7-one has a molecular weight of 183.25 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aS)-2-propyl-2,3,3a,4,5,6-hexahydro-[1,2]oxazolo[2,3-a]pyridin-7-one is sourced from PubChem (CID 46845246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).