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

C11H16N2O — CID 59751946

IUPAC4-propyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one
SMILESCCCc1n[nH]c(=O)c2c1CCCC2
InChIInChI=1S/C11H16N2O/c1-2-5-10-8-6-3-4-7-9(8)11(14)13-12-10/h2-7H2,1H3,(H,13,14)
InChIKeyMTVQLNATQAANRV-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.60
Rot. Bonds2

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

4-propyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one (PubChem CID 59751946) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-propyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-propyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one
PubChem CID59751946
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name4-propyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one
SMILESCCCc1n[nH]c(=O)c2c1CCCC2
InChIInChI=1S/C11H16N2O/c1-2-5-10-8-6-3-4-7-9(8)11(14)13-12-10/h2-7H2,1H3,(H,13,14)
InChIKeyMTVQLNATQAANRV-UHFFFAOYSA-N
XLogP1.60
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one?
The IUPAC name of 4-propyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one (CID 59751946) is 4-propyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one.
What is the SMILES notation for 4-propyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one?
The canonical SMILES for 4-propyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one is CCCc1n[nH]c(=O)c2c1CCCC2.
What is the InChIKey of 4-propyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one?
The InChIKey is MTVQLNATQAANRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-2-5-10-8-6-3-4-7-9(8)11(14)13-12-10/h2-7H2,1H3,(H,13,14).
What are the key properties of 4-propyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one?
4-propyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one has a molecular weight of 192.26 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one is sourced from PubChem (CID 59751946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).