1-propan-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-4-ium

C9H15N2O+ — CID 90395174

IUPAC1-propan-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-4-ium
SMILESCC(C)n1cc[n+]2c1COCC2
InChIInChI=1S/C9H15N2O/c1-8(2)11-4-3-10-5-6-12-7-9(10)11/h3-4,8H,5-7H2,1-2H3/q+1
InChIKeyLVZWOUNZISUUFG-UHFFFAOYSA-N
MW167.23 g/mol
LogP0.89
Rot. Bonds1

About 1-propan-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-4-ium

1-propan-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-4-ium (PubChem CID 90395174) has the molecular formula C9H15N2O+ and a molecular weight of 167.23 g/mol. Its IUPAC name is 1-propan-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-4-ium.

Molecular Properties

Compound Name1-propan-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-4-ium
PubChem CID90395174
Molecular FormulaC9H15N2O+
Molecular Weight167.23 g/mol
Exact Mass167.12
IUPAC Name1-propan-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-4-ium
SMILESCC(C)n1cc[n+]2c1COCC2
InChIInChI=1S/C9H15N2O/c1-8(2)11-4-3-10-5-6-12-7-9(10)11/h3-4,8H,5-7H2,1-2H3/q+1
InChIKeyLVZWOUNZISUUFG-UHFFFAOYSA-N
XLogP0.89
TPSA18.04 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-propan-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-4-ium?
The IUPAC name of 1-propan-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-4-ium (CID 90395174) is 1-propan-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-4-ium.
What is the SMILES notation for 1-propan-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-4-ium?
The canonical SMILES for 1-propan-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-4-ium is CC(C)n1cc[n+]2c1COCC2.
What is the InChIKey of 1-propan-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-4-ium?
The InChIKey is LVZWOUNZISUUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N2O/c1-8(2)11-4-3-10-5-6-12-7-9(10)11/h3-4,8H,5-7H2,1-2H3/q+1.
What are the key properties of 1-propan-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-4-ium?
1-propan-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-4-ium has a molecular weight of 167.23 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-4-ium is sourced from PubChem (CID 90395174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).