1-[3-(dimethylamino)phenyl]-4-hydroxypyrrolidin-2-one

C12H16N2O2 — CID 115379164

IUPAC1-[3-(dimethylamino)phenyl]-4-hydroxypyrrolidin-2-one
SMILESCN(C)c1cccc(N2CC(O)CC2=O)c1
InChIInChI=1S/C12H16N2O2/c1-13(2)9-4-3-5-10(6-9)14-8-11(15)7-12(14)16/h3-6,11,15H,7-8H2,1-2H3
InChIKeySEPNDQQHAQHPTI-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.85
Rot. Bonds2

About 1-[3-(dimethylamino)phenyl]-4-hydroxypyrrolidin-2-one

1-[3-(dimethylamino)phenyl]-4-hydroxypyrrolidin-2-one (PubChem CID 115379164) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-[3-(dimethylamino)phenyl]-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(dimethylamino)phenyl]-4-hydroxypyrrolidin-2-one
PubChem CID115379164
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-[3-(dimethylamino)phenyl]-4-hydroxypyrrolidin-2-one
SMILESCN(C)c1cccc(N2CC(O)CC2=O)c1
InChIInChI=1S/C12H16N2O2/c1-13(2)9-4-3-5-10(6-9)14-8-11(15)7-12(14)16/h3-6,11,15H,7-8H2,1-2H3
InChIKeySEPNDQQHAQHPTI-UHFFFAOYSA-N
XLogP0.85
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(dimethylamino)-3-fluorophenyl]-4-hydroxypyrrolidin-2-one
CID 168702104
1-[3-(dimethylamino)phenyl]-6-oxopiperidine-3-carboxylic acid
CID 115379106
4-hydroxy-1-(4-hydroxy-3-methylphenyl)pyrrolidin-2-one
CID 168702485
2-[3-(4-hydroxy-2-oxopyrrolidin-1-yl)phenyl]acetonitrile
CID 168703908
4-hydroxy-1-[3-(2-methylprop-2-enoxy)phenyl]pyrrolidin-2-one
CID 168701900
1-[3-(dimethylamino)phenyl]-3-methylpiperazine-2,5-dione
CID 113297934
1-(4-chloro-3-hydroxyphenyl)-4-hydroxypyrrolidin-2-one
CID 168703378
4-hydroxy-1-[3-(1,3-oxazol-5-yl)phenyl]pyrrolidin-2-one
CID 168703880
N-methyl-1-(3-methylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 17120559
N-[3-(dimethylamino)phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785662
1-[3-(dimethylamino)phenyl]-3-ethylpiperazine-2,5-dione
CID 115379421
4-hydroxy-1-(1-methylbenzimidazol-5-yl)pyrrolidin-2-one
CID 168702802

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)phenyl]-4-hydroxypyrrolidin-2-one?
The IUPAC name of 1-[3-(dimethylamino)phenyl]-4-hydroxypyrrolidin-2-one (CID 115379164) is 1-[3-(dimethylamino)phenyl]-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-[3-(dimethylamino)phenyl]-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-[3-(dimethylamino)phenyl]-4-hydroxypyrrolidin-2-one is CN(C)c1cccc(N2CC(O)CC2=O)c1.
What is the InChIKey of 1-[3-(dimethylamino)phenyl]-4-hydroxypyrrolidin-2-one?
The InChIKey is SEPNDQQHAQHPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-13(2)9-4-3-5-10(6-9)14-8-11(15)7-12(14)16/h3-6,11,15H,7-8H2,1-2H3.
What are the key properties of 1-[3-(dimethylamino)phenyl]-4-hydroxypyrrolidin-2-one?
1-[3-(dimethylamino)phenyl]-4-hydroxypyrrolidin-2-one has a molecular weight of 220.27 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)phenyl]-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 115379164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).