4-hydroxy-3-methylidene-1-naphthalen-1-ylpyrrolidin-2-one

C15H13NO2 — CID 102132112

IUPAC4-hydroxy-3-methylidene-1-naphthalen-1-ylpyrrolidin-2-one
SMILESC=C1C(=O)N(c2cccc3ccccc23)CC1O
InChIInChI=1S/C15H13NO2/c1-10-14(17)9-16(15(10)18)13-8-4-6-11-5-2-3-7-12(11)13/h2-8,14,17H,1,9H2
InChIKeyNNBTTWFPWRIZFN-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.10
Rot. Bonds1

About 4-hydroxy-3-methylidene-1-naphthalen-1-ylpyrrolidin-2-one

4-hydroxy-3-methylidene-1-naphthalen-1-ylpyrrolidin-2-one (PubChem CID 102132112) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-hydroxy-3-methylidene-1-naphthalen-1-ylpyrrolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-methylidene-1-naphthalen-1-ylpyrrolidin-2-one
PubChem CID102132112
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name4-hydroxy-3-methylidene-1-naphthalen-1-ylpyrrolidin-2-one
SMILESC=C1C(=O)N(c2cccc3ccccc23)CC1O
InChIInChI=1S/C15H13NO2/c1-10-14(17)9-16(15(10)18)13-8-4-6-11-5-2-3-7-12(11)13/h2-8,14,17H,1,9H2
InChIKeyNNBTTWFPWRIZFN-UHFFFAOYSA-N
XLogP2.10
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-naphthalen-1-ylpyrrolidine-2,3-dione
CID 54973508
5-methyl-1-naphthalen-1-yl-1,3-diazinane-2,4-dione
CID 13086234
(3R)-1-naphthalen-1-yl-2-oxopyrrolidine-3-carboxylic acid
CID 40623391
1-naphthalen-1-ylimidazolidin-2-one
CID 70078556
N-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 47099878
6,13-dinaphthalen-1-yl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 101065257
4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1-naphthalen-1-ylpyrrolidin-2-one
CID 111694889
1-naphthalen-1-ylpiperazine-2,5-dione
CID 64955278
2-methyl-5-naphthalen-1-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;oxalic acid
CID 155345654
N-(2-hydroxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 46665270
1-naphthalen-1-yl-5-oxo-N-prop-2-ynylpyrrolidine-3-carboxamide
CID 51177829
4-[[(3S)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 9005113

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methylidene-1-naphthalen-1-ylpyrrolidin-2-one?
The IUPAC name of 4-hydroxy-3-methylidene-1-naphthalen-1-ylpyrrolidin-2-one (CID 102132112) is 4-hydroxy-3-methylidene-1-naphthalen-1-ylpyrrolidin-2-one.
What is the SMILES notation for 4-hydroxy-3-methylidene-1-naphthalen-1-ylpyrrolidin-2-one?
The canonical SMILES for 4-hydroxy-3-methylidene-1-naphthalen-1-ylpyrrolidin-2-one is C=C1C(=O)N(c2cccc3ccccc23)CC1O.
What is the InChIKey of 4-hydroxy-3-methylidene-1-naphthalen-1-ylpyrrolidin-2-one?
The InChIKey is NNBTTWFPWRIZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-10-14(17)9-16(15(10)18)13-8-4-6-11-5-2-3-7-12(11)13/h2-8,14,17H,1,9H2.
What are the key properties of 4-hydroxy-3-methylidene-1-naphthalen-1-ylpyrrolidin-2-one?
4-hydroxy-3-methylidene-1-naphthalen-1-ylpyrrolidin-2-one has a molecular weight of 239.27 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methylidene-1-naphthalen-1-ylpyrrolidin-2-one is sourced from PubChem (CID 102132112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).