4-propan-2-yl-5,6,7,8-tetrahydro-2H-phthalazin-1-one

C11H16N2O — CID 134286606

IUPAC4-propan-2-yl-5,6,7,8-tetrahydro-2H-phthalazin-1-one
SMILESCC(C)c1n[nH]c(=O)c2c1CCCC2
InChIInChI=1S/C11H16N2O/c1-7(2)10-8-5-3-4-6-9(8)11(14)13-12-10/h7H,3-6H2,1-2H3,(H,13,14)
InChIKeyQUTKIQWMCHQUQR-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.77
Rot. Bonds1

About 4-propan-2-yl-5,6,7,8-tetrahydro-2H-phthalazin-1-one

4-propan-2-yl-5,6,7,8-tetrahydro-2H-phthalazin-1-one (PubChem CID 134286606) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-propan-2-yl-5,6,7,8-tetrahydro-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-propan-2-yl-5,6,7,8-tetrahydro-2H-phthalazin-1-one
PubChem CID134286606
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name4-propan-2-yl-5,6,7,8-tetrahydro-2H-phthalazin-1-one
SMILESCC(C)c1n[nH]c(=O)c2c1CCCC2
InChIInChI=1S/C11H16N2O/c1-7(2)10-8-5-3-4-6-9(8)11(14)13-12-10/h7H,3-6H2,1-2H3,(H,13,14)
InChIKeyQUTKIQWMCHQUQR-UHFFFAOYSA-N
XLogP1.77
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-5,6,7,8-tetrahydro-2H-phthalazin-1-one?
The IUPAC name of 4-propan-2-yl-5,6,7,8-tetrahydro-2H-phthalazin-1-one (CID 134286606) is 4-propan-2-yl-5,6,7,8-tetrahydro-2H-phthalazin-1-one.
What is the SMILES notation for 4-propan-2-yl-5,6,7,8-tetrahydro-2H-phthalazin-1-one?
The canonical SMILES for 4-propan-2-yl-5,6,7,8-tetrahydro-2H-phthalazin-1-one is CC(C)c1n[nH]c(=O)c2c1CCCC2.
What is the InChIKey of 4-propan-2-yl-5,6,7,8-tetrahydro-2H-phthalazin-1-one?
The InChIKey is QUTKIQWMCHQUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-7(2)10-8-5-3-4-6-9(8)11(14)13-12-10/h7H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 4-propan-2-yl-5,6,7,8-tetrahydro-2H-phthalazin-1-one?
4-propan-2-yl-5,6,7,8-tetrahydro-2H-phthalazin-1-one has a molecular weight of 192.26 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-5,6,7,8-tetrahydro-2H-phthalazin-1-one is sourced from PubChem (CID 134286606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).