1,6,7-trimethyl-1,5-dihydropyrrolo[1,2-c][1,3]oxazin-8-ium

C10H14NO+ — CID 58803416

IUPAC1,6,7-trimethyl-1,5-dihydropyrrolo[1,2-c][1,3]oxazin-8-ium
SMILESCC1=C(C)[N+]2=C(C=COC2C)C1
InChIInChI=1S/C10H14NO/c1-7-6-10-4-5-12-9(3)11(10)8(7)2/h4-5,9H,6H2,1-3H3/q+1
InChIKeyFGJJZLCVHNGORR-UHFFFAOYSA-N
MW164.23 g/mol
LogP2.03
Rot. Bonds

About 1,6,7-trimethyl-1,5-dihydropyrrolo[1,2-c][1,3]oxazin-8-ium

1,6,7-trimethyl-1,5-dihydropyrrolo[1,2-c][1,3]oxazin-8-ium (PubChem CID 58803416) has the molecular formula C10H14NO+ and a molecular weight of 164.23 g/mol. Its IUPAC name is 1,6,7-trimethyl-1,5-dihydropyrrolo[1,2-c][1,3]oxazin-8-ium.

Molecular Properties

Compound Name1,6,7-trimethyl-1,5-dihydropyrrolo[1,2-c][1,3]oxazin-8-ium
PubChem CID58803416
Molecular FormulaC10H14NO+
Molecular Weight164.23 g/mol
Exact Mass164.11
IUPAC Name1,6,7-trimethyl-1,5-dihydropyrrolo[1,2-c][1,3]oxazin-8-ium
SMILESCC1=C(C)[N+]2=C(C=COC2C)C1
InChIInChI=1S/C10H14NO/c1-7-6-10-4-5-12-9(3)11(10)8(7)2/h4-5,9H,6H2,1-3H3/q+1
InChIKeyFGJJZLCVHNGORR-UHFFFAOYSA-N
XLogP2.03
TPSA12.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,6,7-trimethyl-1,5-dihydropyrrolo[1,2-c][1,3]oxazin-8-ium?
The IUPAC name of 1,6,7-trimethyl-1,5-dihydropyrrolo[1,2-c][1,3]oxazin-8-ium (CID 58803416) is 1,6,7-trimethyl-1,5-dihydropyrrolo[1,2-c][1,3]oxazin-8-ium.
What is the SMILES notation for 1,6,7-trimethyl-1,5-dihydropyrrolo[1,2-c][1,3]oxazin-8-ium?
The canonical SMILES for 1,6,7-trimethyl-1,5-dihydropyrrolo[1,2-c][1,3]oxazin-8-ium is CC1=C(C)[N+]2=C(C=COC2C)C1.
What is the InChIKey of 1,6,7-trimethyl-1,5-dihydropyrrolo[1,2-c][1,3]oxazin-8-ium?
The InChIKey is FGJJZLCVHNGORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14NO/c1-7-6-10-4-5-12-9(3)11(10)8(7)2/h4-5,9H,6H2,1-3H3/q+1.
What are the key properties of 1,6,7-trimethyl-1,5-dihydropyrrolo[1,2-c][1,3]oxazin-8-ium?
1,6,7-trimethyl-1,5-dihydropyrrolo[1,2-c][1,3]oxazin-8-ium has a molecular weight of 164.23 g/mol, XLogP of 2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,7-trimethyl-1,5-dihydropyrrolo[1,2-c][1,3]oxazin-8-ium is sourced from PubChem (CID 58803416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).