3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carboxylic acid

C8H9NO3 — CID 82413967

IUPAC3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carboxylic acid
SMILESO=C(O)c1ccc2n1CCOC2
InChIInChI=1S/C8H9NO3/c10-8(11)7-2-1-6-5-12-4-3-9(6)7/h1-2H,3-5H2,(H,10,11)
InChIKeyZLTBGXODKBDEGD-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.72
Rot. Bonds1

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

3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carboxylic acid (PubChem CID 82413967) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carboxylic acid.

Molecular Properties

Compound Name3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carboxylic acid
PubChem CID82413967
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carboxylic acid
SMILESO=C(O)c1ccc2n1CCOC2
InChIInChI=1S/C8H9NO3/c10-8(11)7-2-1-6-5-12-4-3-9(6)7/h1-2H,3-5H2,(H,10,11)
InChIKeyZLTBGXODKBDEGD-UHFFFAOYSA-N
XLogP0.72
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carboxylic acid?
The IUPAC name of 3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carboxylic acid (CID 82413967) is 3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carboxylic acid.
What is the SMILES notation for 3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carboxylic acid?
The canonical SMILES for 3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carboxylic acid is O=C(O)c1ccc2n1CCOC2.
What is the InChIKey of 3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carboxylic acid?
The InChIKey is ZLTBGXODKBDEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c10-8(11)7-2-1-6-5-12-4-3-9(6)7/h1-2H,3-5H2,(H,10,11).
What are the key properties of 3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carboxylic acid?
3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carboxylic acid has a molecular weight of 167.16 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carboxylic acid is sourced from PubChem (CID 82413967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).