3-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-phthalazine-1,4-dione

C14H15N3O3 — CID 16614267

IUPAC3-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-phthalazine-1,4-dione
SMILESO=C(Cn1[nH]c(=O)c2ccccc2c1=O)N1CCCC1
InChIInChI=1S/C14H15N3O3/c18-12(16-7-3-4-8-16)9-17-14(20)11-6-2-1-5-10(11)13(19)15-17/h1-2,5-6H,3-4,7-9H2,(H,15,19)
InChIKeyNITMPFKVSBJNBJ-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.31
Rot. Bonds2

About 3-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-phthalazine-1,4-dione

3-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-phthalazine-1,4-dione (PubChem CID 16614267) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 3-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-phthalazine-1,4-dione.

Molecular Properties

Compound Name3-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-phthalazine-1,4-dione
PubChem CID16614267
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name3-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-phthalazine-1,4-dione
SMILESO=C(Cn1[nH]c(=O)c2ccccc2c1=O)N1CCCC1
InChIInChI=1S/C14H15N3O3/c18-12(16-7-3-4-8-16)9-17-14(20)11-6-2-1-5-10(11)13(19)15-17/h1-2,5-6H,3-4,7-9H2,(H,15,19)
InChIKeyNITMPFKVSBJNBJ-UHFFFAOYSA-N
XLogP0.31
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(azocan-1-yl)-2-oxoethyl]-2H-phthalazine-1,4-dione
CID 51145503
3-[2-(4-benzyl-1,4-diazepan-1-yl)-2-oxoethyl]-2H-phthalazine-1,4-dione
CID 27745227
3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2H-phthalazine-1,4-dione
CID 40711327
3-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-2H-phthalazine-1,4-dione
CID 9338760
3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-2H-phthalazine-1,4-dione
CID 26680979
N-(cyclopropylmethyl)-1-[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]piperidine-3-carboxamide
CID 55868809
3-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2H-phthalazine-1,4-dione
CID 2108382
3-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2H-phthalazine-1,4-dione
CID 25102422
3-[2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-2-oxoethyl]-2H-phthalazine-1,4-dione
CID 39259082
3-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2H-phthalazine-1,4-dione
CID 24981246
3-[2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-2H-phthalazine-1,4-dione
CID 51338957
3-[2-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2H-phthalazine-1,4-dione
CID 51269992

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-phthalazine-1,4-dione?
The IUPAC name of 3-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-phthalazine-1,4-dione (CID 16614267) is 3-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-phthalazine-1,4-dione.
What is the SMILES notation for 3-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-phthalazine-1,4-dione?
The canonical SMILES for 3-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-phthalazine-1,4-dione is O=C(Cn1[nH]c(=O)c2ccccc2c1=O)N1CCCC1.
What is the InChIKey of 3-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-phthalazine-1,4-dione?
The InChIKey is NITMPFKVSBJNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c18-12(16-7-3-4-8-16)9-17-14(20)11-6-2-1-5-10(11)13(19)15-17/h1-2,5-6H,3-4,7-9H2,(H,15,19).
What are the key properties of 3-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-phthalazine-1,4-dione?
3-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-phthalazine-1,4-dione has a molecular weight of 273.29 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-phthalazine-1,4-dione is sourced from PubChem (CID 16614267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).