4-(aminomethyl)-1-(3-hydroxy-3-phenylpropyl)pyrrolidin-2-one

C14H20N2O2 — CID 168658985

IUPAC4-(aminomethyl)-1-(3-hydroxy-3-phenylpropyl)pyrrolidin-2-one
SMILESNCC1CC(=O)N(CCC(O)c2ccccc2)C1
InChIInChI=1S/C14H20N2O2/c15-9-11-8-14(18)16(10-11)7-6-13(17)12-4-2-1-3-5-12/h1-5,11,13,17H,6-10,15H2
InChIKeyQPEHVXAVIWAEBK-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.92
Rot. Bonds5

About 4-(aminomethyl)-1-(3-hydroxy-3-phenylpropyl)pyrrolidin-2-one

4-(aminomethyl)-1-(3-hydroxy-3-phenylpropyl)pyrrolidin-2-one (PubChem CID 168658985) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-(aminomethyl)-1-(3-hydroxy-3-phenylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-(3-hydroxy-3-phenylpropyl)pyrrolidin-2-one
PubChem CID168658985
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-(aminomethyl)-1-(3-hydroxy-3-phenylpropyl)pyrrolidin-2-one
SMILESNCC1CC(=O)N(CCC(O)c2ccccc2)C1
InChIInChI=1S/C14H20N2O2/c15-9-11-8-14(18)16(10-11)7-6-13(17)12-4-2-1-3-5-12/h1-5,11,13,17H,6-10,15H2
InChIKeyQPEHVXAVIWAEBK-UHFFFAOYSA-N
XLogP0.92
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-(3-hydroxy-3-phenylpropyl)pyrrolidin-2-one
CID 168698960
4-(azidomethyl)-1-(3-hydroxy-3-phenylpropyl)pyrrolidin-2-one
CID 168655733
4-(chloromethyl)-1-[(2S)-2-hydroxy-2-phenylethyl]pyrrolidin-2-one
CID 168506792
4-(aminomethyl)-1-[2-(2-hydroxyphenyl)ethyl]pyrrolidin-2-one
CID 168660240
4-(aminomethyl)-1-benzylpyrrolidin-2-one;2,3-dihydroxybutanedioic acid
CID 14129465
4-amino-1-[(2S)-2-hydroxy-2-phenylethyl]pyrrolidin-2-one
CID 168698967
1-(3-hydroxy-3-phenylpropyl)azocan-2-one
CID 116693124
4-(aminomethyl)-1-[(2-ethylphenyl)methyl]pyrrolidin-2-one
CID 64695007
2-(3-hydroxy-3-phenylpropyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 116693206
4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-hydroxybutanoic acid
CID 168658977
4-(aminomethyl)-1-[3-(2-methoxyphenoxy)propyl]pyrrolidin-2-one
CID 168659615
(1R)-3-(3-aminopiperidin-1-yl)-1-phenylpropan-1-ol
CID 112742222

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-(3-hydroxy-3-phenylpropyl)pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-(3-hydroxy-3-phenylpropyl)pyrrolidin-2-one (CID 168658985) is 4-(aminomethyl)-1-(3-hydroxy-3-phenylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-(3-hydroxy-3-phenylpropyl)pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-(3-hydroxy-3-phenylpropyl)pyrrolidin-2-one is NCC1CC(=O)N(CCC(O)c2ccccc2)C1.
What is the InChIKey of 4-(aminomethyl)-1-(3-hydroxy-3-phenylpropyl)pyrrolidin-2-one?
The InChIKey is QPEHVXAVIWAEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-9-11-8-14(18)16(10-11)7-6-13(17)12-4-2-1-3-5-12/h1-5,11,13,17H,6-10,15H2.
What are the key properties of 4-(aminomethyl)-1-(3-hydroxy-3-phenylpropyl)pyrrolidin-2-one?
4-(aminomethyl)-1-(3-hydroxy-3-phenylpropyl)pyrrolidin-2-one has a molecular weight of 248.33 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-(3-hydroxy-3-phenylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 168658985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).