2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclopentane]

C20H20N2O — CID 3121653

IUPAC2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclopentane]
SMILESc1ccc(C2=NN3C(C2)c2ccccc2OC32CCCC2)cc1
InChIInChI=1S/C20H20N2O/c1-2-8-15(9-3-1)17-14-18-16-10-4-5-11-19(16)23-20(22(18)21-17)12-6-7-13-20/h1-5,8-11,18H,6-7,12-14H2
InChIKeyZRJHDVIQVQKWQR-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.50
Rot. Bonds1

About 2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclopentane]

2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclopentane] (PubChem CID 3121653) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclopentane].

Molecular Properties

Compound Name2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclopentane]
PubChem CID3121653
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclopentane]
SMILESc1ccc(C2=NN3C(C2)c2ccccc2OC32CCCC2)cc1
InChIInChI=1S/C20H20N2O/c1-2-8-15(9-3-1)17-14-18-16-10-4-5-11-19(16)23-20(22(18)21-17)12-6-7-13-20/h1-5,8-11,18H,6-7,12-14H2
InChIKeyZRJHDVIQVQKWQR-UHFFFAOYSA-N
XLogP4.50
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclopentane]?
The IUPAC name of 2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclopentane] (CID 3121653) is 2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclopentane].
What is the SMILES notation for 2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclopentane]?
The canonical SMILES for 2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclopentane] is c1ccc(C2=NN3C(C2)c2ccccc2OC32CCCC2)cc1.
What is the InChIKey of 2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclopentane]?
The InChIKey is ZRJHDVIQVQKWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-2-8-15(9-3-1)17-14-18-16-10-4-5-11-19(16)23-20(22(18)21-17)12-6-7-13-20/h1-5,8-11,18H,6-7,12-14H2.
What are the key properties of 2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclopentane]?
2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclopentane] has a molecular weight of 304.39 g/mol, XLogP of 4.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclopentane] is sourced from PubChem (CID 3121653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).