1-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]pyrrolidin-2-one

C15H22N2O2 — CID 4213266

IUPAC1-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCNCC(O)c1ccccc1
InChIInChI=1S/C15H22N2O2/c18-14(13-6-2-1-3-7-13)12-16-9-5-11-17-10-4-8-15(17)19/h1-3,6-7,14,16,18H,4-5,8-12H2
InChIKeyLJGLPKXMTYRBMS-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.32
Rot. Bonds7

About 1-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]pyrrolidin-2-one

1-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]pyrrolidin-2-one (PubChem CID 4213266) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]pyrrolidin-2-one
PubChem CID4213266
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCNCC(O)c1ccccc1
InChIInChI=1S/C15H22N2O2/c18-14(13-6-2-1-3-7-13)12-16-9-5-11-17-10-4-8-15(17)19/h1-3,6-7,14,16,18H,4-5,8-12H2
InChIKeyLJGLPKXMTYRBMS-UHFFFAOYSA-N
XLogP1.32
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(benzylamino)propyl]pyrrolidin-2-one;hydrochloride
CID 17211877
1-(3-hydroxy-3-phenylpropyl)azocan-2-one
CID 116693124
N-(3-hydroxy-3-phenylpropyl)-3-(2-oxopyrrolidin-1-yl)propanamide
CID 111471868
2-[[3-(2-oxopyrrolidin-1-yl)propylamino]methyl]benzoic acid
CID 17212317
1-[2-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methylamino]ethyl]pyrrolidin-2-one
CID 95607291
1-[(R)-cyclopropyl(phenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 51469803
N-[3-(2-oxopyrrolidin-1-yl)propyl]-N'-phenyloxamide
CID 7541598
N-hydroxy-2-[3-[3-(2-oxopyrrolidin-1-yl)propylamino]phenyl]-2-phenylacetamide
CID 135320225
2-[2-(4-methylpiperazin-1-yl)ethylamino]-1-phenylethanol
CID 115279452
2-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]azepan-1-yl]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 96534867
4-[2-hydroxy-3-[3-(2-oxopyrrolidin-1-yl)propylamino]propoxy]benzonitrile
CID 4968790
(1R)-2-(2-morpholin-4-ylethylamino)-1-phenylethanol
CID 39353337

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]pyrrolidin-2-one (CID 4213266) is 1-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]pyrrolidin-2-one is O=C1CCCN1CCCNCC(O)c1ccccc1.
What is the InChIKey of 1-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]pyrrolidin-2-one?
The InChIKey is LJGLPKXMTYRBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c18-14(13-6-2-1-3-7-13)12-16-9-5-11-17-10-4-8-15(17)19/h1-3,6-7,14,16,18H,4-5,8-12H2.
What are the key properties of 1-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]pyrrolidin-2-one?
1-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]pyrrolidin-2-one has a molecular weight of 262.35 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 4213266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).