2-[2-(4-amino-2-oxopyrrolidin-1-yl)ethyl]phthalazin-1-one

C14H16N4O2 — CID 168700148

IUPAC2-[2-(4-amino-2-oxopyrrolidin-1-yl)ethyl]phthalazin-1-one
SMILESNC1CC(=O)N(CCn2ncc3ccccc3c2=O)C1
InChIInChI=1S/C14H16N4O2/c15-11-7-13(19)17(9-11)5-6-18-14(20)12-4-2-1-3-10(12)8-16-18/h1-4,8,11H,5-7,9,15H2
InChIKeyUIZNBRFEVNQFMC-UHFFFAOYSA-N
MW272.31 g/mol
LogP-0.04
Rot. Bonds3

About 2-[2-(4-amino-2-oxopyrrolidin-1-yl)ethyl]phthalazin-1-one

2-[2-(4-amino-2-oxopyrrolidin-1-yl)ethyl]phthalazin-1-one (PubChem CID 168700148) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-[2-(4-amino-2-oxopyrrolidin-1-yl)ethyl]phthalazin-1-one.

Molecular Properties

Compound Name2-[2-(4-amino-2-oxopyrrolidin-1-yl)ethyl]phthalazin-1-one
PubChem CID168700148
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name2-[2-(4-amino-2-oxopyrrolidin-1-yl)ethyl]phthalazin-1-one
SMILESNC1CC(=O)N(CCn2ncc3ccccc3c2=O)C1
InChIInChI=1S/C14H16N4O2/c15-11-7-13(19)17(9-11)5-6-18-14(20)12-4-2-1-3-10(12)8-16-18/h1-4,8,11H,5-7,9,15H2
InChIKeyUIZNBRFEVNQFMC-UHFFFAOYSA-N
XLogP-0.04
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-(2-isoquinolin-5-ylethyl)pyrrolidin-2-one
CID 168700186
2-(5-chloropentyl)phthalazin-1-one
CID 43348317
2-prop-2-enylphthalazin-1-one
CID 18989461
2-(3-oxobutyl)phthalazin-1-one
CID 60724062
2-[2-(dimethylamino)ethyl]phthalazin-1-one;hydrochloride
CID 3057187
(3R)-1-cyclopentyl-5-oxo-N-[2-(1-oxophthalazin-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 97131135
(3S)-1-cyclopentyl-5-oxo-N-[2-(1-oxophthalazin-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 97131136
5-(1-oxophthalazin-2-yl)pentanoic acid
CID 28971824
2-(pyrrolidin-1-ylmethyl)phthalazin-1-one
CID 35869698
2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]phthalazin-1-one
CID 60526741
2-(2,2-dimethylpropyl)phthalazin-1-one
CID 122497308
2-[[2-(aminomethyl)phenyl]methyl]phthalazin-1-one
CID 16782938

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-amino-2-oxopyrrolidin-1-yl)ethyl]phthalazin-1-one?
The IUPAC name of 2-[2-(4-amino-2-oxopyrrolidin-1-yl)ethyl]phthalazin-1-one (CID 168700148) is 2-[2-(4-amino-2-oxopyrrolidin-1-yl)ethyl]phthalazin-1-one.
What is the SMILES notation for 2-[2-(4-amino-2-oxopyrrolidin-1-yl)ethyl]phthalazin-1-one?
The canonical SMILES for 2-[2-(4-amino-2-oxopyrrolidin-1-yl)ethyl]phthalazin-1-one is NC1CC(=O)N(CCn2ncc3ccccc3c2=O)C1.
What is the InChIKey of 2-[2-(4-amino-2-oxopyrrolidin-1-yl)ethyl]phthalazin-1-one?
The InChIKey is UIZNBRFEVNQFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c15-11-7-13(19)17(9-11)5-6-18-14(20)12-4-2-1-3-10(12)8-16-18/h1-4,8,11H,5-7,9,15H2.
What are the key properties of 2-[2-(4-amino-2-oxopyrrolidin-1-yl)ethyl]phthalazin-1-one?
2-[2-(4-amino-2-oxopyrrolidin-1-yl)ethyl]phthalazin-1-one has a molecular weight of 272.31 g/mol, XLogP of -0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-amino-2-oxopyrrolidin-1-yl)ethyl]phthalazin-1-one is sourced from PubChem (CID 168700148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).