2-methylidene-4,5,6,7-tetrahydro-1H-[1,3]oxazolo[5,4-c]pyridine

C7H10N2O — CID 90052779

IUPAC2-methylidene-4,5,6,7-tetrahydro-1H-[1,3]oxazolo[5,4-c]pyridine
SMILESC=C1NC2=C(CNCC2)O1
InChIInChI=1S/C7H10N2O/c1-5-9-6-2-3-8-4-7(6)10-5/h8-9H,1-4H2
InChIKeyBAGKRKWSSJFGSI-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.28
Rot. Bonds

About 2-methylidene-4,5,6,7-tetrahydro-1H-[1,3]oxazolo[5,4-c]pyridine

2-methylidene-4,5,6,7-tetrahydro-1H-[1,3]oxazolo[5,4-c]pyridine (PubChem CID 90052779) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 2-methylidene-4,5,6,7-tetrahydro-1H-[1,3]oxazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-methylidene-4,5,6,7-tetrahydro-1H-[1,3]oxazolo[5,4-c]pyridine
PubChem CID90052779
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name2-methylidene-4,5,6,7-tetrahydro-1H-[1,3]oxazolo[5,4-c]pyridine
SMILESC=C1NC2=C(CNCC2)O1
InChIInChI=1S/C7H10N2O/c1-5-9-6-2-3-8-4-7(6)10-5/h8-9H,1-4H2
InChIKeyBAGKRKWSSJFGSI-UHFFFAOYSA-N
XLogP0.28
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-4,5,6,7-tetrahydro-1H-[1,3]oxazolo[5,4-c]pyridine?
The IUPAC name of 2-methylidene-4,5,6,7-tetrahydro-1H-[1,3]oxazolo[5,4-c]pyridine (CID 90052779) is 2-methylidene-4,5,6,7-tetrahydro-1H-[1,3]oxazolo[5,4-c]pyridine.
What is the SMILES notation for 2-methylidene-4,5,6,7-tetrahydro-1H-[1,3]oxazolo[5,4-c]pyridine?
The canonical SMILES for 2-methylidene-4,5,6,7-tetrahydro-1H-[1,3]oxazolo[5,4-c]pyridine is C=C1NC2=C(CNCC2)O1.
What is the InChIKey of 2-methylidene-4,5,6,7-tetrahydro-1H-[1,3]oxazolo[5,4-c]pyridine?
The InChIKey is BAGKRKWSSJFGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-5-9-6-2-3-8-4-7(6)10-5/h8-9H,1-4H2.
What are the key properties of 2-methylidene-4,5,6,7-tetrahydro-1H-[1,3]oxazolo[5,4-c]pyridine?
2-methylidene-4,5,6,7-tetrahydro-1H-[1,3]oxazolo[5,4-c]pyridine has a molecular weight of 138.17 g/mol, XLogP of 0.28, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-4,5,6,7-tetrahydro-1H-[1,3]oxazolo[5,4-c]pyridine is sourced from PubChem (CID 90052779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).