6a-(1-methoxyethenyl)-3-methyl-5,6-dihydro-3aH-furo[2,3-d][1,2]oxazole

C9H13NO3 — CID 166662403

IUPAC6a-(1-methoxyethenyl)-3-methyl-5,6-dihydro-3aH-furo[2,3-d][1,2]oxazole
SMILESC=C(OC)C12CCOC1C(C)=NO2
InChIInChI=1S/C9H13NO3/c1-6-8-9(13-10-6,4-5-12-8)7(2)11-3/h8H,2,4-5H2,1,3H3
InChIKeyULHCSCWNYNCLFO-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.08
Rot. Bonds2

About 6a-(1-methoxyethenyl)-3-methyl-5,6-dihydro-3aH-furo[2,3-d][1,2]oxazole

6a-(1-methoxyethenyl)-3-methyl-5,6-dihydro-3aH-furo[2,3-d][1,2]oxazole (PubChem CID 166662403) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 6a-(1-methoxyethenyl)-3-methyl-5,6-dihydro-3aH-furo[2,3-d][1,2]oxazole.

Molecular Properties

Compound Name6a-(1-methoxyethenyl)-3-methyl-5,6-dihydro-3aH-furo[2,3-d][1,2]oxazole
PubChem CID166662403
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name6a-(1-methoxyethenyl)-3-methyl-5,6-dihydro-3aH-furo[2,3-d][1,2]oxazole
SMILESC=C(OC)C12CCOC1C(C)=NO2
InChIInChI=1S/C9H13NO3/c1-6-8-9(13-10-6,4-5-12-8)7(2)11-3/h8H,2,4-5H2,1,3H3
InChIKeyULHCSCWNYNCLFO-UHFFFAOYSA-N
XLogP1.08
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6a-(1-methoxyethenyl)-3-methyl-5,6-dihydro-3aH-furo[2,3-d][1,2]oxazole?
The IUPAC name of 6a-(1-methoxyethenyl)-3-methyl-5,6-dihydro-3aH-furo[2,3-d][1,2]oxazole (CID 166662403) is 6a-(1-methoxyethenyl)-3-methyl-5,6-dihydro-3aH-furo[2,3-d][1,2]oxazole.
What is the SMILES notation for 6a-(1-methoxyethenyl)-3-methyl-5,6-dihydro-3aH-furo[2,3-d][1,2]oxazole?
The canonical SMILES for 6a-(1-methoxyethenyl)-3-methyl-5,6-dihydro-3aH-furo[2,3-d][1,2]oxazole is C=C(OC)C12CCOC1C(C)=NO2.
What is the InChIKey of 6a-(1-methoxyethenyl)-3-methyl-5,6-dihydro-3aH-furo[2,3-d][1,2]oxazole?
The InChIKey is ULHCSCWNYNCLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-6-8-9(13-10-6,4-5-12-8)7(2)11-3/h8H,2,4-5H2,1,3H3.
What are the key properties of 6a-(1-methoxyethenyl)-3-methyl-5,6-dihydro-3aH-furo[2,3-d][1,2]oxazole?
6a-(1-methoxyethenyl)-3-methyl-5,6-dihydro-3aH-furo[2,3-d][1,2]oxazole has a molecular weight of 183.21 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6a-(1-methoxyethenyl)-3-methyl-5,6-dihydro-3aH-furo[2,3-d][1,2]oxazole is sourced from PubChem (CID 166662403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).