7,8,9,10-tetrahydroindazolo[2,3-a][3,1]benzoxazin-5-one

C14H12N2O2 — CID 797861

IUPAC7,8,9,10-tetrahydroindazolo[2,3-a][3,1]benzoxazin-5-one
SMILESO=c1oc2c3c(nn2c2ccccc12)CCCC3
InChIInChI=1S/C14H12N2O2/c17-14-10-6-2-4-8-12(10)16-13(18-14)9-5-1-3-7-11(9)15-16/h2,4,6,8H,1,3,5,7H2
InChIKeyPPOQXUHEEJOLMI-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.32
Rot. Bonds

About 7,8,9,10-tetrahydroindazolo[2,3-a][3,1]benzoxazin-5-one

7,8,9,10-tetrahydroindazolo[2,3-a][3,1]benzoxazin-5-one (PubChem CID 797861) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 7,8,9,10-tetrahydroindazolo[2,3-a][3,1]benzoxazin-5-one.

Molecular Properties

Compound Name7,8,9,10-tetrahydroindazolo[2,3-a][3,1]benzoxazin-5-one
PubChem CID797861
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name7,8,9,10-tetrahydroindazolo[2,3-a][3,1]benzoxazin-5-one
SMILESO=c1oc2c3c(nn2c2ccccc12)CCCC3
InChIInChI=1S/C14H12N2O2/c17-14-10-6-2-4-8-12(10)16-13(18-14)9-5-1-3-7-11(9)15-16/h2,4,6,8H,1,3,5,7H2
InChIKeyPPOQXUHEEJOLMI-UHFFFAOYSA-N
XLogP2.32
TPSA47.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,8,9,10-tetrahydroindazolo[2,3-a][3,1]benzoxazin-5-one?
The IUPAC name of 7,8,9,10-tetrahydroindazolo[2,3-a][3,1]benzoxazin-5-one (CID 797861) is 7,8,9,10-tetrahydroindazolo[2,3-a][3,1]benzoxazin-5-one.
What is the SMILES notation for 7,8,9,10-tetrahydroindazolo[2,3-a][3,1]benzoxazin-5-one?
The canonical SMILES for 7,8,9,10-tetrahydroindazolo[2,3-a][3,1]benzoxazin-5-one is O=c1oc2c3c(nn2c2ccccc12)CCCC3.
What is the InChIKey of 7,8,9,10-tetrahydroindazolo[2,3-a][3,1]benzoxazin-5-one?
The InChIKey is PPOQXUHEEJOLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c17-14-10-6-2-4-8-12(10)16-13(18-14)9-5-1-3-7-11(9)15-16/h2,4,6,8H,1,3,5,7H2.
What are the key properties of 7,8,9,10-tetrahydroindazolo[2,3-a][3,1]benzoxazin-5-one?
7,8,9,10-tetrahydroindazolo[2,3-a][3,1]benzoxazin-5-one has a molecular weight of 240.26 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8,9,10-tetrahydroindazolo[2,3-a][3,1]benzoxazin-5-one is sourced from PubChem (CID 797861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).