spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]

C9H13N3O — CID 175780207

IUPACspiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]
SMILESc1cc2n(n1)CCOC21CCNC1
InChIInChI=1S/C9H13N3O/c1-3-11-12-5-6-13-9(8(1)12)2-4-10-7-9/h1,3,10H,2,4-7H2
InChIKeyDWMOQCWDAUPSLD-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.10
Rot. Bonds

About spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]

spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine] (PubChem CID 175780207) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine].

Molecular Properties

Compound Namespiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]
PubChem CID175780207
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Namespiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]
SMILESc1cc2n(n1)CCOC21CCNC1
InChIInChI=1S/C9H13N3O/c1-3-11-12-5-6-13-9(8(1)12)2-4-10-7-9/h1,3,10H,2,4-7H2
InChIKeyDWMOQCWDAUPSLD-UHFFFAOYSA-N
XLogP0.10
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]?
The IUPAC name of spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine] (CID 175780207) is spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine].
What is the SMILES notation for spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]?
The canonical SMILES for spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine] is c1cc2n(n1)CCOC21CCNC1.
What is the InChIKey of spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]?
The InChIKey is DWMOQCWDAUPSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-3-11-12-5-6-13-9(8(1)12)2-4-10-7-9/h1,3,10H,2,4-7H2.
What are the key properties of spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]?
spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine] has a molecular weight of 179.22 g/mol, XLogP of 0.10, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine] is sourced from PubChem (CID 175780207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).