4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1-naphthalen-1-ylpyrrolidin-2-one

C19H20N2O3 — CID 111694889

IUPAC4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1-naphthalen-1-ylpyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2cccc3ccccc23)C1)N1CC[C@H](O)C1
InChIInChI=1S/C19H20N2O3/c22-15-8-9-20(12-15)19(24)14-10-18(23)21(11-14)17-7-3-5-13-4-1-2-6-16(13)17/h1-7,14-15,22H,8-12H2/t14?,15-/m0/s1
InChIKeyVAHDDCCVFVNPRL-LOACHALJSA-N
MW324.38 g/mol
LogP1.79
Rot. Bonds2

About 4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1-naphthalen-1-ylpyrrolidin-2-one

4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1-naphthalen-1-ylpyrrolidin-2-one (PubChem CID 111694889) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1-naphthalen-1-ylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1-naphthalen-1-ylpyrrolidin-2-one
PubChem CID111694889
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1-naphthalen-1-ylpyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2cccc3ccccc23)C1)N1CC[C@H](O)C1
InChIInChI=1S/C19H20N2O3/c22-15-8-9-20(12-15)19(24)14-10-18(23)21(11-14)17-7-3-5-13-4-1-2-6-16(13)17/h1-7,14-15,22H,8-12H2/t14?,15-/m0/s1
InChIKeyVAHDDCCVFVNPRL-LOACHALJSA-N
XLogP1.79
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1-naphthalen-1-ylpyrrolidin-2-one;hydrochloride
CID 119635548
4-[4-(methylamino)piperidine-1-carbonyl]-1-naphthalen-1-ylpyrrolidin-2-one;hydrochloride
CID 119560343
1-(2-butan-2-ylphenyl)-4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 111561327
(4S)-1-naphthalen-1-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9318939
4-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-naphthalen-1-ylpyrrolidin-2-one
CID 166202662
N-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 47099878
[2-(azepan-1-yl)-2-oxoethyl] 1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate
CID 166182466
(3S)-1-[(3S)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 124703341
1-naphthalen-1-yl-5-oxo-N-prop-2-ynylpyrrolidine-3-carboxamide
CID 51177829
1-[(3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylic acid
CID 94830827
N-(2-hydroxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 46665270
4-[(1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119230120

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1-naphthalen-1-ylpyrrolidin-2-one?
The IUPAC name of 4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1-naphthalen-1-ylpyrrolidin-2-one (CID 111694889) is 4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1-naphthalen-1-ylpyrrolidin-2-one.
What is the SMILES notation for 4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1-naphthalen-1-ylpyrrolidin-2-one?
The canonical SMILES for 4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1-naphthalen-1-ylpyrrolidin-2-one is O=C(C1CC(=O)N(c2cccc3ccccc23)C1)N1CC[C@H](O)C1.
What is the InChIKey of 4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1-naphthalen-1-ylpyrrolidin-2-one?
The InChIKey is VAHDDCCVFVNPRL-LOACHALJSA-N. The full InChI is InChI=1S/C19H20N2O3/c22-15-8-9-20(12-15)19(24)14-10-18(23)21(11-14)17-7-3-5-13-4-1-2-6-16(13)17/h1-7,14-15,22H,8-12H2/t14?,15-/m0/s1.
What are the key properties of 4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1-naphthalen-1-ylpyrrolidin-2-one?
4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1-naphthalen-1-ylpyrrolidin-2-one has a molecular weight of 324.38 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1-naphthalen-1-ylpyrrolidin-2-one is sourced from PubChem (CID 111694889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).