6-cyclopropyl-1,4,5,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridin-3-one

C9H12N2O2 — CID 83846494

IUPAC6-cyclopropyl-1,4,5,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridin-3-one
SMILESO=c1o[nH]c2c1CCN(C1CC1)C2
InChIInChI=1S/C9H12N2O2/c12-9-7-3-4-11(6-1-2-6)5-8(7)10-13-9/h6,10H,1-5H2
InChIKeyLKXLFLVVNBNAFJ-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.49
Rot. Bonds1

About 6-cyclopropyl-1,4,5,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridin-3-one

6-cyclopropyl-1,4,5,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridin-3-one (PubChem CID 83846494) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 6-cyclopropyl-1,4,5,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-1,4,5,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridin-3-one
PubChem CID83846494
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name6-cyclopropyl-1,4,5,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridin-3-one
SMILESO=c1o[nH]c2c1CCN(C1CC1)C2
InChIInChI=1S/C9H12N2O2/c12-9-7-3-4-11(6-1-2-6)5-8(7)10-13-9/h6,10H,1-5H2
InChIKeyLKXLFLVVNBNAFJ-UHFFFAOYSA-N
XLogP0.49
TPSA49.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-1,4,5,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridin-3-one?
The IUPAC name of 6-cyclopropyl-1,4,5,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridin-3-one (CID 83846494) is 6-cyclopropyl-1,4,5,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 6-cyclopropyl-1,4,5,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridin-3-one?
The canonical SMILES for 6-cyclopropyl-1,4,5,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridin-3-one is O=c1o[nH]c2c1CCN(C1CC1)C2.
What is the InChIKey of 6-cyclopropyl-1,4,5,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridin-3-one?
The InChIKey is LKXLFLVVNBNAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c12-9-7-3-4-11(6-1-2-6)5-8(7)10-13-9/h6,10H,1-5H2.
What are the key properties of 6-cyclopropyl-1,4,5,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridin-3-one?
6-cyclopropyl-1,4,5,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridin-3-one has a molecular weight of 180.21 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-1,4,5,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 83846494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).