4-[2-[(2R)-2-cyclopentylpyrrolidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one

C19H23N3O2 — CID 94637149

IUPAC4-[2-[(2R)-2-cyclopentylpyrrolidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)N1CCC[C@@H]1C1CCCC1
InChIInChI=1S/C19H23N3O2/c23-18(22-11-5-10-17(22)13-6-1-2-7-13)12-16-14-8-3-4-9-15(14)19(24)21-20-16/h3-4,8-9,13,17H,1-2,5-7,10-12H2,(H,21,24)/t17-/m1/s1
InChIKeyUNXGZCQNGNHYRN-QGZVFWFLSA-N
MW325.41 g/mol
LogP2.65
Rot. Bonds3

About 4-[2-[(2R)-2-cyclopentylpyrrolidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one

4-[2-[(2R)-2-cyclopentylpyrrolidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one (PubChem CID 94637149) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-[2-[(2R)-2-cyclopentylpyrrolidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-[2-[(2R)-2-cyclopentylpyrrolidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one
PubChem CID94637149
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name4-[2-[(2R)-2-cyclopentylpyrrolidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)N1CCC[C@@H]1C1CCCC1
InChIInChI=1S/C19H23N3O2/c23-18(22-11-5-10-17(22)13-6-1-2-7-13)12-16-14-8-3-4-9-15(14)19(24)21-20-16/h3-4,8-9,13,17H,1-2,5-7,10-12H2,(H,21,24)/t17-/m1/s1
InChIKeyUNXGZCQNGNHYRN-QGZVFWFLSA-N
XLogP2.65
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one
CID 51473384
4-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]-2H-phthalazin-1-one
CID 24626134
4-[(2R)-2-cyclopentylpyrrolidine-1-carbonyl]-2H-phthalazin-1-one
CID 95579846
4-[2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one
CID 41111587
4-[2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)ethyl]-2H-phthalazin-1-one
CID 110210193
4-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]-2H-phthalazin-1-one
CID 166196668
1-(2-cyclopentylpyrrolidin-1-yl)-2-(2-hydroxyphenyl)ethanone
CID 78916994
(2S,4S)-4-hydroxy-1-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 40816558
ethyl 4-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]piperazine-1-carboxylate
CID 2678381
1-cyclopentyl-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea
CID 110749123
4-[2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2H-phthalazin-1-one
CID 27333131
4-methyl-5-oxo-1-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]piperazine-2-carboxylic acid
CID 167858901

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2R)-2-cyclopentylpyrrolidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one?
The IUPAC name of 4-[2-[(2R)-2-cyclopentylpyrrolidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one (CID 94637149) is 4-[2-[(2R)-2-cyclopentylpyrrolidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one.
What is the SMILES notation for 4-[2-[(2R)-2-cyclopentylpyrrolidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one?
The canonical SMILES for 4-[2-[(2R)-2-cyclopentylpyrrolidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one is O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCC[C@@H]1C1CCCC1.
What is the InChIKey of 4-[2-[(2R)-2-cyclopentylpyrrolidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one?
The InChIKey is UNXGZCQNGNHYRN-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H23N3O2/c23-18(22-11-5-10-17(22)13-6-1-2-7-13)12-16-14-8-3-4-9-15(14)19(24)21-20-16/h3-4,8-9,13,17H,1-2,5-7,10-12H2,(H,21,24)/t17-/m1/s1.
What are the key properties of 4-[2-[(2R)-2-cyclopentylpyrrolidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one?
4-[2-[(2R)-2-cyclopentylpyrrolidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one has a molecular weight of 325.41 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2R)-2-cyclopentylpyrrolidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one is sourced from PubChem (CID 94637149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).