6-methyl-3-oxospiro[4H-pyrrolo[3,4-b][1,4]oxazine-2,1'-cyclopropane]-7-carboxylic acid

C10H10N2O4 — CID 82377604

IUPAC6-methyl-3-oxospiro[4H-pyrrolo[3,4-b][1,4]oxazine-2,1'-cyclopropane]-7-carboxylic acid
SMILESCn1cc2c(c1C(=O)O)OC1(CC1)C(=O)N2
InChIInChI=1S/C10H10N2O4/c1-12-4-5-7(6(12)8(13)14)16-10(2-3-10)9(15)11-5/h4H,2-3H2,1H3,(H,11,15)(H,13,14)
InChIKeyVLEFEPFLBYJBAT-UHFFFAOYSA-N
MW222.20 g/mol
LogP0.59
Rot. Bonds1

About 6-methyl-3-oxospiro[4H-pyrrolo[3,4-b][1,4]oxazine-2,1'-cyclopropane]-7-carboxylic acid

6-methyl-3-oxospiro[4H-pyrrolo[3,4-b][1,4]oxazine-2,1'-cyclopropane]-7-carboxylic acid (PubChem CID 82377604) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is 6-methyl-3-oxospiro[4H-pyrrolo[3,4-b][1,4]oxazine-2,1'-cyclopropane]-7-carboxylic acid.

Molecular Properties

Compound Name6-methyl-3-oxospiro[4H-pyrrolo[3,4-b][1,4]oxazine-2,1'-cyclopropane]-7-carboxylic acid
PubChem CID82377604
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Name6-methyl-3-oxospiro[4H-pyrrolo[3,4-b][1,4]oxazine-2,1'-cyclopropane]-7-carboxylic acid
SMILESCn1cc2c(c1C(=O)O)OC1(CC1)C(=O)N2
InChIInChI=1S/C10H10N2O4/c1-12-4-5-7(6(12)8(13)14)16-10(2-3-10)9(15)11-5/h4H,2-3H2,1H3,(H,11,15)(H,13,14)
InChIKeyVLEFEPFLBYJBAT-UHFFFAOYSA-N
XLogP0.59
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-methyl-3-oxospiro[4H-pyrrolo[3,4-b][1,4]oxazine-2,1'-cyclopropane]-7-carboxylic acid with MolForge

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Related Compounds

6-oxospiro[5H-pyridazino[3,4-b][1,4]oxazine-7,1'-cyclopropane]-3-carboxylic acid
CID 167003465
2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,1'-cyclopropane]-7-carboxylic acid
CID 167003420
6-methylspiro[3,4-dihydropyrrolo[3,4-b][1,4]thiazine-2,1'-cyclopentane]-7-carboxylic acid
CID 82377717
6-methyl-2-pentan-3-yl-3,4-dihydro-2H-pyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid
CID 82377706
3-oxospiro[4,6-dihydropyrrolo[3,4-b][1,4]oxazine-2,1'-cyclopropane]-5-carboxylic acid
CID 82377426
2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,1'-cyclobutane]-7-carboxylic acid
CID 167003127
2,4,6-trimethyl-2,3-dihydropyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid
CID 82377650
6-methyl-3-oxo-2-propan-2-yl-4H-pyrrolo[3,4-b][1,4]thiazine-7-carboxylic acid
CID 82377608
6-methyl-3-oxo-2-propyl-2,4-dihydro-1H-pyrrolo[3,4-b]pyrazine-5-carboxylic acid
CID 82375752
8-methoxyspiro[4H-1,4-benzoxazine-2,1'-cyclopentane]-3-one
CID 115097570
6-methylspiro[3,4-dihydropyrrolo[3,4-b][1,4]thiazine-2,1'-cyclopropane]-5-carboxylic acid
CID 82377721
8-methoxyspiro[4H-1,4-benzoxazine-2,1'-cyclobutane]-3-one
CID 115097204

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-oxospiro[4H-pyrrolo[3,4-b][1,4]oxazine-2,1'-cyclopropane]-7-carboxylic acid?
The IUPAC name of 6-methyl-3-oxospiro[4H-pyrrolo[3,4-b][1,4]oxazine-2,1'-cyclopropane]-7-carboxylic acid (CID 82377604) is 6-methyl-3-oxospiro[4H-pyrrolo[3,4-b][1,4]oxazine-2,1'-cyclopropane]-7-carboxylic acid.
What is the SMILES notation for 6-methyl-3-oxospiro[4H-pyrrolo[3,4-b][1,4]oxazine-2,1'-cyclopropane]-7-carboxylic acid?
The canonical SMILES for 6-methyl-3-oxospiro[4H-pyrrolo[3,4-b][1,4]oxazine-2,1'-cyclopropane]-7-carboxylic acid is Cn1cc2c(c1C(=O)O)OC1(CC1)C(=O)N2.
What is the InChIKey of 6-methyl-3-oxospiro[4H-pyrrolo[3,4-b][1,4]oxazine-2,1'-cyclopropane]-7-carboxylic acid?
The InChIKey is VLEFEPFLBYJBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4/c1-12-4-5-7(6(12)8(13)14)16-10(2-3-10)9(15)11-5/h4H,2-3H2,1H3,(H,11,15)(H,13,14).
What are the key properties of 6-methyl-3-oxospiro[4H-pyrrolo[3,4-b][1,4]oxazine-2,1'-cyclopropane]-7-carboxylic acid?
6-methyl-3-oxospiro[4H-pyrrolo[3,4-b][1,4]oxazine-2,1'-cyclopropane]-7-carboxylic acid has a molecular weight of 222.20 g/mol, XLogP of 0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-oxospiro[4H-pyrrolo[3,4-b][1,4]oxazine-2,1'-cyclopropane]-7-carboxylic acid is sourced from PubChem (CID 82377604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).