2-formyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-3-carboxylic acid;hydrochloride

C8H9ClN2O4 — CID 154747069

IUPAC2-formyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-3-carboxylic acid;hydrochloride
SMILESCl.O=Cc1nc2n(c1C(=O)O)CCOC2
InChIInChI=1S/C8H8N2O4.ClH/c11-3-5-7(8(12)13)10-1-2-14-4-6(10)9-5;/h3H,1-2,4H2,(H,12,13);1H
InChIKeyMMWZHFKSCHHVOI-UHFFFAOYSA-N
MW232.62 g/mol
LogP0.35
Rot. Bonds2

About 2-formyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-3-carboxylic acid;hydrochloride

2-formyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-3-carboxylic acid;hydrochloride (PubChem CID 154747069) has the molecular formula C8H9ClN2O4 and a molecular weight of 232.62 g/mol. Its IUPAC name is 2-formyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-formyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-3-carboxylic acid;hydrochloride
PubChem CID154747069
Molecular FormulaC8H9ClN2O4
Molecular Weight232.62 g/mol
Exact Mass232.03
IUPAC Name2-formyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-3-carboxylic acid;hydrochloride
SMILESCl.O=Cc1nc2n(c1C(=O)O)CCOC2
InChIInChI=1S/C8H8N2O4.ClH/c11-3-5-7(8(12)13)10-1-2-14-4-6(10)9-5;/h3H,1-2,4H2,(H,12,13);1H
InChIKeyMMWZHFKSCHHVOI-UHFFFAOYSA-N
XLogP0.35
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.62
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-formyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-3-carboxylic acid;hydrochloride?
The IUPAC name of 2-formyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-3-carboxylic acid;hydrochloride (CID 154747069) is 2-formyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-formyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 2-formyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-3-carboxylic acid;hydrochloride is Cl.O=Cc1nc2n(c1C(=O)O)CCOC2.
What is the InChIKey of 2-formyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-3-carboxylic acid;hydrochloride?
The InChIKey is MMWZHFKSCHHVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O4.ClH/c11-3-5-7(8(12)13)10-1-2-14-4-6(10)9-5;/h3H,1-2,4H2,(H,12,13);1H.
What are the key properties of 2-formyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-3-carboxylic acid;hydrochloride?
2-formyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-3-carboxylic acid;hydrochloride has a molecular weight of 232.62 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 154747069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).