4-(hydroxymethyl)-3H-pyrido[1,2-c][1,3]oxazin-1-one

C9H9NO3 — CID 10419760

IUPAC4-(hydroxymethyl)-3H-pyrido[1,2-c][1,3]oxazin-1-one
SMILESO=C1OCC(CO)=C2C=CC=CN12
InChIInChI=1S/C9H9NO3/c11-5-7-6-13-9(12)10-4-2-1-3-8(7)10/h1-4,11H,5-6H2
InChIKeySMHINLKTUPBGIG-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.77
Rot. Bonds1

About 4-(hydroxymethyl)-3H-pyrido[1,2-c][1,3]oxazin-1-one

4-(hydroxymethyl)-3H-pyrido[1,2-c][1,3]oxazin-1-one (PubChem CID 10419760) has the molecular formula C9H9NO3 and a molecular weight of 179.18 g/mol. Its IUPAC name is 4-(hydroxymethyl)-3H-pyrido[1,2-c][1,3]oxazin-1-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-3H-pyrido[1,2-c][1,3]oxazin-1-one
PubChem CID10419760
Molecular FormulaC9H9NO3
Molecular Weight179.18 g/mol
Exact Mass179.06
IUPAC Name4-(hydroxymethyl)-3H-pyrido[1,2-c][1,3]oxazin-1-one
SMILESO=C1OCC(CO)=C2C=CC=CN12
InChIInChI=1S/C9H9NO3/c11-5-7-6-13-9(12)10-4-2-1-3-8(7)10/h1-4,11H,5-6H2
InChIKeySMHINLKTUPBGIG-UHFFFAOYSA-N
XLogP0.77
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-3H-pyrido[1,2-c][1,3]oxazin-1-one?
The IUPAC name of 4-(hydroxymethyl)-3H-pyrido[1,2-c][1,3]oxazin-1-one (CID 10419760) is 4-(hydroxymethyl)-3H-pyrido[1,2-c][1,3]oxazin-1-one.
What is the SMILES notation for 4-(hydroxymethyl)-3H-pyrido[1,2-c][1,3]oxazin-1-one?
The canonical SMILES for 4-(hydroxymethyl)-3H-pyrido[1,2-c][1,3]oxazin-1-one is O=C1OCC(CO)=C2C=CC=CN12.
What is the InChIKey of 4-(hydroxymethyl)-3H-pyrido[1,2-c][1,3]oxazin-1-one?
The InChIKey is SMHINLKTUPBGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c11-5-7-6-13-9(12)10-4-2-1-3-8(7)10/h1-4,11H,5-6H2.
What are the key properties of 4-(hydroxymethyl)-3H-pyrido[1,2-c][1,3]oxazin-1-one?
4-(hydroxymethyl)-3H-pyrido[1,2-c][1,3]oxazin-1-one has a molecular weight of 179.18 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-3H-pyrido[1,2-c][1,3]oxazin-1-one is sourced from PubChem (CID 10419760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).