4-[(2R)-2-cyclopentylpyrrolidine-1-carbonyl]-2H-phthalazin-1-one

C18H21N3O2 — CID 95579846

IUPAC4-[(2R)-2-cyclopentylpyrrolidine-1-carbonyl]-2H-phthalazin-1-one
SMILESO=C(c1n[nH]c(=O)c2ccccc12)N1CCC[C@@H]1C1CCCC1
InChIInChI=1S/C18H21N3O2/c22-17-14-9-4-3-8-13(14)16(19-20-17)18(23)21-11-5-10-15(21)12-6-1-2-7-12/h3-4,8-9,12,15H,1-2,5-7,10-11H2,(H,20,22)/t15-/m1/s1
InChIKeyXMONHBHHRWDAKE-OAHLLOKOSA-N
MW311.38 g/mol
LogP2.72
Rot. Bonds2

About 4-[(2R)-2-cyclopentylpyrrolidine-1-carbonyl]-2H-phthalazin-1-one

4-[(2R)-2-cyclopentylpyrrolidine-1-carbonyl]-2H-phthalazin-1-one (PubChem CID 95579846) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 4-[(2R)-2-cyclopentylpyrrolidine-1-carbonyl]-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-[(2R)-2-cyclopentylpyrrolidine-1-carbonyl]-2H-phthalazin-1-one
PubChem CID95579846
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name4-[(2R)-2-cyclopentylpyrrolidine-1-carbonyl]-2H-phthalazin-1-one
SMILESO=C(c1n[nH]c(=O)c2ccccc12)N1CCC[C@@H]1C1CCCC1
InChIInChI=1S/C18H21N3O2/c22-17-14-9-4-3-8-13(14)16(19-20-17)18(23)21-11-5-10-15(21)12-6-1-2-7-12/h3-4,8-9,12,15H,1-2,5-7,10-11H2,(H,20,22)/t15-/m1/s1
InChIKeyXMONHBHHRWDAKE-OAHLLOKOSA-N
XLogP2.72
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]-2H-phthalazin-1-one
CID 71935198
4-[2-[(2R)-2-cyclopentylpyrrolidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one
CID 94637149
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]-2H-phthalazin-1-one
CID 9070716
4-[(4aR,8aS)-6-(4-phenylbutanoyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carbonyl]-2H-phthalazin-1-one
CID 42365549
4-[(2S)-2-pyridin-2-ylpiperidine-1-carbonyl]-2H-phthalazin-1-one
CID 99953113
4-[2-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-2H-phthalazin-1-one
CID 118741468
4-[(2R)-2-pyridin-3-ylpyrrolidine-1-carbonyl]-2H-phthalazin-1-one
CID 39154920
4-[4-(4-oxo-3H-phthalazine-1-carbonyl)piperazine-1-carbonyl]-2H-phthalazin-1-one
CID 167744195
4-[(2R)-2-cyclopentylpyrrolidine-1-carbonyl]-2-ethylphthalazin-1-one
CID 94637107
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-2-propylphthalazin-1-one
CID 26008732
4-(4-oxopiperidine-1-carbonyl)-2H-phthalazin-1-one
CID 71564575
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone
CID 27126630

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-cyclopentylpyrrolidine-1-carbonyl]-2H-phthalazin-1-one?
The IUPAC name of 4-[(2R)-2-cyclopentylpyrrolidine-1-carbonyl]-2H-phthalazin-1-one (CID 95579846) is 4-[(2R)-2-cyclopentylpyrrolidine-1-carbonyl]-2H-phthalazin-1-one.
What is the SMILES notation for 4-[(2R)-2-cyclopentylpyrrolidine-1-carbonyl]-2H-phthalazin-1-one?
The canonical SMILES for 4-[(2R)-2-cyclopentylpyrrolidine-1-carbonyl]-2H-phthalazin-1-one is O=C(c1n[nH]c(=O)c2ccccc12)N1CCC[C@@H]1C1CCCC1.
What is the InChIKey of 4-[(2R)-2-cyclopentylpyrrolidine-1-carbonyl]-2H-phthalazin-1-one?
The InChIKey is XMONHBHHRWDAKE-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-17-14-9-4-3-8-13(14)16(19-20-17)18(23)21-11-5-10-15(21)12-6-1-2-7-12/h3-4,8-9,12,15H,1-2,5-7,10-11H2,(H,20,22)/t15-/m1/s1.
What are the key properties of 4-[(2R)-2-cyclopentylpyrrolidine-1-carbonyl]-2H-phthalazin-1-one?
4-[(2R)-2-cyclopentylpyrrolidine-1-carbonyl]-2H-phthalazin-1-one has a molecular weight of 311.38 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-cyclopentylpyrrolidine-1-carbonyl]-2H-phthalazin-1-one is sourced from PubChem (CID 95579846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).