6-methylidene-7H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylic acid

C8H8N2O3 — CID 155973290

IUPAC6-methylidene-7H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylic acid
SMILESC=C1COc2c(C(=O)O)cnn2C1
InChIInChI=1S/C8H8N2O3/c1-5-3-10-7(13-4-5)6(2-9-10)8(11)12/h2H,1,3-4H2,(H,11,12)
InChIKeyNAYOMAVPGXGHPR-UHFFFAOYSA-N
MW180.16 g/mol
LogP0.53
Rot. Bonds1

About 6-methylidene-7H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylic acid

6-methylidene-7H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylic acid (PubChem CID 155973290) has the molecular formula C8H8N2O3 and a molecular weight of 180.16 g/mol. Its IUPAC name is 6-methylidene-7H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylic acid.

Molecular Properties

Compound Name6-methylidene-7H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylic acid
PubChem CID155973290
Molecular FormulaC8H8N2O3
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC Name6-methylidene-7H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylic acid
SMILESC=C1COc2c(C(=O)O)cnn2C1
InChIInChI=1S/C8H8N2O3/c1-5-3-10-7(13-4-5)6(2-9-10)8(11)12/h2H,1,3-4H2,(H,11,12)
InChIKeyNAYOMAVPGXGHPR-UHFFFAOYSA-N
XLogP0.53
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 14329435
CID 14329435
CID 44307222
CID 44307222
CID 14329432
CID 14329432
CID 52228125
CID 52228125
CID 83815408
CID 83815408
CID 84039122
CID 84039122
CID 84649596
CID 84649596
CID 84652336
CID 84652336
CID 44307221
CID 44307221
CID 71789423
CID 71789423
CID 52228126
CID 52228126
CID 71777859
CID 71777859

Frequently Asked Questions

What is the IUPAC name of 6-methylidene-7H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylic acid?
The IUPAC name of 6-methylidene-7H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylic acid (CID 155973290) is 6-methylidene-7H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylic acid.
What is the SMILES notation for 6-methylidene-7H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylic acid?
The canonical SMILES for 6-methylidene-7H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylic acid is C=C1COc2c(C(=O)O)cnn2C1.
What is the InChIKey of 6-methylidene-7H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylic acid?
The InChIKey is NAYOMAVPGXGHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3/c1-5-3-10-7(13-4-5)6(2-9-10)8(11)12/h2H,1,3-4H2,(H,11,12).
What are the key properties of 6-methylidene-7H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylic acid?
6-methylidene-7H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylic acid has a molecular weight of 180.16 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-7H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylic acid is sourced from PubChem (CID 155973290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).