spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-carboxylic acid

C9H10N2O3 — CID 71777862

IUPACspiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-carboxylic acid
SMILESO=C(O)c1cnn2c1OCC1(CC1)C2
InChIInChI=1S/C9H10N2O3/c12-8(13)6-3-10-11-4-9(1-2-9)5-14-7(6)11/h3H,1-2,4-5H2,(H,12,13)
InChIKeyBNMHQGOFOQJFFK-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.75
Rot. Bonds1

About spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-carboxylic acid

spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-carboxylic acid (PubChem CID 71777862) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-carboxylic acid.

Molecular Properties

Compound Namespiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-carboxylic acid
PubChem CID71777862
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Namespiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-carboxylic acid
SMILESO=C(O)c1cnn2c1OCC1(CC1)C2
InChIInChI=1S/C9H10N2O3/c12-8(13)6-3-10-11-4-9(1-2-9)5-14-7(6)11/h3H,1-2,4-5H2,(H,12,13)
InChIKeyBNMHQGOFOQJFFK-UHFFFAOYSA-N
XLogP0.75
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-carboxylic acid?
The IUPAC name of spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-carboxylic acid (CID 71777862) is spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-carboxylic acid.
What is the SMILES notation for spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-carboxylic acid?
The canonical SMILES for spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-carboxylic acid is O=C(O)c1cnn2c1OCC1(CC1)C2.
What is the InChIKey of spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-carboxylic acid?
The InChIKey is BNMHQGOFOQJFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c12-8(13)6-3-10-11-4-9(1-2-9)5-14-7(6)11/h3H,1-2,4-5H2,(H,12,13).
What are the key properties of spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-carboxylic acid?
spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-carboxylic acid has a molecular weight of 194.19 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-carboxylic acid is sourced from PubChem (CID 71777862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).