4-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2H-phthalazin-1-one

C19H17N3O2 — CID 18444370

IUPAC4-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2H-phthalazin-1-one
SMILESO=C1CCCN1c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1
InChIInChI=1S/C19H17N3O2/c23-18-9-4-10-22(18)14-6-3-5-13(11-14)12-17-15-7-1-2-8-16(15)19(24)21-20-17/h1-3,5-8,11H,4,9-10,12H2,(H,21,24)
InChIKeyGJMJJWLKXRWMKJ-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.64
Rot. Bonds3

About 4-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2H-phthalazin-1-one

4-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2H-phthalazin-1-one (PubChem CID 18444370) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 4-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2H-phthalazin-1-one
PubChem CID18444370
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name4-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2H-phthalazin-1-one
SMILESO=C1CCCN1c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1
InChIInChI=1S/C19H17N3O2/c23-18-9-4-10-22(18)14-6-3-5-13(11-14)12-17-15-7-1-2-8-16(15)19(24)21-20-17/h1-3,5-8,11H,4,9-10,12H2,(H,21,24)
InChIKeyGJMJJWLKXRWMKJ-UHFFFAOYSA-N
XLogP2.64
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2H-phthalazin-1-one?
The IUPAC name of 4-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2H-phthalazin-1-one (CID 18444370) is 4-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2H-phthalazin-1-one.
What is the SMILES notation for 4-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2H-phthalazin-1-one?
The canonical SMILES for 4-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2H-phthalazin-1-one is O=C1CCCN1c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1.
What is the InChIKey of 4-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2H-phthalazin-1-one?
The InChIKey is GJMJJWLKXRWMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c23-18-9-4-10-22(18)14-6-3-5-13(11-14)12-17-15-7-1-2-8-16(15)19(24)21-20-17/h1-3,5-8,11H,4,9-10,12H2,(H,21,24).
What are the key properties of 4-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2H-phthalazin-1-one?
4-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2H-phthalazin-1-one has a molecular weight of 319.36 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2H-phthalazin-1-one is sourced from PubChem (CID 18444370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).