2,4-dimethyl-3,6-dihydro-2H-pyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid

C9H12N2O3 — CID 82377480

IUPAC2,4-dimethyl-3,6-dihydro-2H-pyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid
SMILESCC1CN(C)c2c[nH]c(C(=O)O)c2O1
InChIInChI=1S/C9H12N2O3/c1-5-4-11(2)6-3-10-7(9(12)13)8(6)14-5/h3,5,10H,4H2,1-2H3,(H,12,13)
InChIKeyKNKLVIZOUBEFAV-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.93
Rot. Bonds1

About 2,4-dimethyl-3,6-dihydro-2H-pyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid

2,4-dimethyl-3,6-dihydro-2H-pyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid (PubChem CID 82377480) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2,4-dimethyl-3,6-dihydro-2H-pyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid.

Molecular Properties

Compound Name2,4-dimethyl-3,6-dihydro-2H-pyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid
PubChem CID82377480
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2,4-dimethyl-3,6-dihydro-2H-pyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid
SMILESCC1CN(C)c2c[nH]c(C(=O)O)c2O1
InChIInChI=1S/C9H12N2O3/c1-5-4-11(2)6-3-10-7(9(12)13)8(6)14-5/h3,5,10H,4H2,1-2H3,(H,12,13)
InChIKeyKNKLVIZOUBEFAV-UHFFFAOYSA-N
XLogP0.93
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,6-trimethyl-2,3-dihydropyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid
CID 82377650
2,4-dimethyl-6-oxo-3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carboxylic acid
CID 90283410
2,4-dimethyl-2,3-dihydrothieno[3,4-b][1,4]oxazine-5-carboxylic acid
CID 82376453
2,4-dimethyl-2,3-dihydropyrido[4,3-b][1,4]oxazin-8-amine
CID 171622735
2-amino-1-(2,4-dimethyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanone
CID 82340245
1,3-dimethyl-2,3-dihydropyrido[2,3-b][1,4]oxazine
CID 150405091
1,3-dimethyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-sulfonyl chloride
CID 138681375
5-(2,6-dimethylmorpholin-4-yl)-1H-pyrimidine-2,4-dione
CID 21178136
1,3-dimethyl-2,3-dihydroindole-5-carboxylic acid
CID 20744133
2,4,5,7-tetramethyl-2,3-dihydro-1,4-benzoxazin-8-amine
CID 82230487
6-chloro-2,4-dimethyl-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide
CID 139945897
1-(8-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 126795372

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3,6-dihydro-2H-pyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid?
The IUPAC name of 2,4-dimethyl-3,6-dihydro-2H-pyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid (CID 82377480) is 2,4-dimethyl-3,6-dihydro-2H-pyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid.
What is the SMILES notation for 2,4-dimethyl-3,6-dihydro-2H-pyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid?
The canonical SMILES for 2,4-dimethyl-3,6-dihydro-2H-pyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid is CC1CN(C)c2c[nH]c(C(=O)O)c2O1.
What is the InChIKey of 2,4-dimethyl-3,6-dihydro-2H-pyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid?
The InChIKey is KNKLVIZOUBEFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-5-4-11(2)6-3-10-7(9(12)13)8(6)14-5/h3,5,10H,4H2,1-2H3,(H,12,13).
What are the key properties of 2,4-dimethyl-3,6-dihydro-2H-pyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid?
2,4-dimethyl-3,6-dihydro-2H-pyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of 0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3,6-dihydro-2H-pyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid is sourced from PubChem (CID 82377480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).