2-(oxan-2-yl)-6,7-dihydro-5H-indazol-4-one

C12H16N2O2 — CID 71114815

IUPAC2-(oxan-2-yl)-6,7-dihydro-5H-indazol-4-one
SMILESO=C1CCCc2nn(C3CCCCO3)cc21
InChIInChI=1S/C12H16N2O2/c15-11-5-3-4-10-9(11)8-14(13-10)12-6-1-2-7-16-12/h8,12H,1-7H2
InChIKeyXJDHZEZPKDTJDM-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.10
Rot. Bonds1

About 2-(oxan-2-yl)-6,7-dihydro-5H-indazol-4-one

2-(oxan-2-yl)-6,7-dihydro-5H-indazol-4-one (PubChem CID 71114815) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-(oxan-2-yl)-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name2-(oxan-2-yl)-6,7-dihydro-5H-indazol-4-one
PubChem CID71114815
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-(oxan-2-yl)-6,7-dihydro-5H-indazol-4-one
SMILESO=C1CCCc2nn(C3CCCCO3)cc21
InChIInChI=1S/C12H16N2O2/c15-11-5-3-4-10-9(11)8-14(13-10)12-6-1-2-7-16-12/h8,12H,1-7H2
InChIKeyXJDHZEZPKDTJDM-UHFFFAOYSA-N
XLogP2.10
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-yl)-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 2-(oxan-2-yl)-6,7-dihydro-5H-indazol-4-one (CID 71114815) is 2-(oxan-2-yl)-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 2-(oxan-2-yl)-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 2-(oxan-2-yl)-6,7-dihydro-5H-indazol-4-one is O=C1CCCc2nn(C3CCCCO3)cc21.
What is the InChIKey of 2-(oxan-2-yl)-6,7-dihydro-5H-indazol-4-one?
The InChIKey is XJDHZEZPKDTJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c15-11-5-3-4-10-9(11)8-14(13-10)12-6-1-2-7-16-12/h8,12H,1-7H2.
What are the key properties of 2-(oxan-2-yl)-6,7-dihydro-5H-indazol-4-one?
2-(oxan-2-yl)-6,7-dihydro-5H-indazol-4-one has a molecular weight of 220.27 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-yl)-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 71114815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).