5-(2-hydroxyethyl)-8-methylidene-5,6,7,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridin-3-one

C10H15NO3 — CID 130145028

IUPAC5-(2-hydroxyethyl)-8-methylidene-5,6,7,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridin-3-one
SMILESC=C1CCC(CCO)N2C(=O)OCC12
InChIInChI=1S/C10H15NO3/c1-7-2-3-8(4-5-12)11-9(7)6-14-10(11)13/h8-9,12H,1-6H2
InChIKeyIVHFDNLZFPWOGO-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.91
Rot. Bonds2

About 5-(2-hydroxyethyl)-8-methylidene-5,6,7,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridin-3-one

5-(2-hydroxyethyl)-8-methylidene-5,6,7,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridin-3-one (PubChem CID 130145028) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-8-methylidene-5,6,7,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridin-3-one.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-8-methylidene-5,6,7,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridin-3-one
PubChem CID130145028
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name5-(2-hydroxyethyl)-8-methylidene-5,6,7,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridin-3-one
SMILESC=C1CCC(CCO)N2C(=O)OCC12
InChIInChI=1S/C10H15NO3/c1-7-2-3-8(4-5-12)11-9(7)6-14-10(11)13/h8-9,12H,1-6H2
InChIKeyIVHFDNLZFPWOGO-UHFFFAOYSA-N
XLogP0.91
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-8-methylidene-5,6,7,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridin-3-one?
The IUPAC name of 5-(2-hydroxyethyl)-8-methylidene-5,6,7,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridin-3-one (CID 130145028) is 5-(2-hydroxyethyl)-8-methylidene-5,6,7,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridin-3-one.
What is the SMILES notation for 5-(2-hydroxyethyl)-8-methylidene-5,6,7,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridin-3-one?
The canonical SMILES for 5-(2-hydroxyethyl)-8-methylidene-5,6,7,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridin-3-one is C=C1CCC(CCO)N2C(=O)OCC12.
What is the InChIKey of 5-(2-hydroxyethyl)-8-methylidene-5,6,7,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridin-3-one?
The InChIKey is IVHFDNLZFPWOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-7-2-3-8(4-5-12)11-9(7)6-14-10(11)13/h8-9,12H,1-6H2.
What are the key properties of 5-(2-hydroxyethyl)-8-methylidene-5,6,7,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridin-3-one?
5-(2-hydroxyethyl)-8-methylidene-5,6,7,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridin-3-one has a molecular weight of 197.23 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-8-methylidene-5,6,7,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridin-3-one is sourced from PubChem (CID 130145028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).