4-(aminomethyl)-1-(5-hydroxynaphthalen-1-yl)pyrrolidin-2-one

C15H16N2O2 — CID 168661049

IUPAC4-(aminomethyl)-1-(5-hydroxynaphthalen-1-yl)pyrrolidin-2-one
SMILESNCC1CC(=O)N(c2cccc3c(O)cccc23)C1
InChIInChI=1S/C15H16N2O2/c16-8-10-7-15(19)17(9-10)13-5-1-4-12-11(13)3-2-6-14(12)18/h1-6,10,18H,7-9,16H2
InChIKeyHBFPLXJYDJQCKT-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.86
Rot. Bonds2

About 4-(aminomethyl)-1-(5-hydroxynaphthalen-1-yl)pyrrolidin-2-one

4-(aminomethyl)-1-(5-hydroxynaphthalen-1-yl)pyrrolidin-2-one (PubChem CID 168661049) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-(aminomethyl)-1-(5-hydroxynaphthalen-1-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-(5-hydroxynaphthalen-1-yl)pyrrolidin-2-one
PubChem CID168661049
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name4-(aminomethyl)-1-(5-hydroxynaphthalen-1-yl)pyrrolidin-2-one
SMILESNCC1CC(=O)N(c2cccc3c(O)cccc23)C1
InChIInChI=1S/C15H16N2O2/c16-8-10-7-15(19)17(9-10)13-5-1-4-12-11(13)3-2-6-14(12)18/h1-6,10,18H,7-9,16H2
InChIKeyHBFPLXJYDJQCKT-UHFFFAOYSA-N
XLogP1.86
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-1-(2-iodophenyl)pyrrolidin-2-one
CID 168660871
4-(aminomethyl)-1-(8-aminonaphthalen-1-yl)pyrrolidin-2-one
CID 168661060
4-(aminomethyl)-1-(5-fluoro-2-hydroxyphenyl)pyrrolidin-2-one
CID 168660608
1-(5-bromonaphthalen-1-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663904
3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyridin-2-one
CID 168661300
4-(aminomethyl)-1-(1-methylindazol-4-yl)pyrrolidin-2-one
CID 168660105
4-(aminomethyl)-1-(2-hydroxy-4-nitrophenyl)pyrrolidin-2-one
CID 168660857
4-(aminomethyl)-1-[4-chloro-2-(hydroxymethyl)phenyl]pyrrolidin-2-one
CID 168660632
4-(aminomethyl)-1-(8-methylquinolin-5-yl)pyrrolidin-2-one
CID 168659792
4-(aminomethyl)-1-(1,10-phenanthrolin-5-yl)pyrrolidin-2-one
CID 168661050
4-(aminomethyl)-1-(2-chloro-3-hydroxy-4-methylphenyl)pyrrolidin-2-one
CID 168659748
2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-N-tert-butylbenzamide
CID 168659058

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-(5-hydroxynaphthalen-1-yl)pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-(5-hydroxynaphthalen-1-yl)pyrrolidin-2-one (CID 168661049) is 4-(aminomethyl)-1-(5-hydroxynaphthalen-1-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-(5-hydroxynaphthalen-1-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-(5-hydroxynaphthalen-1-yl)pyrrolidin-2-one is NCC1CC(=O)N(c2cccc3c(O)cccc23)C1.
What is the InChIKey of 4-(aminomethyl)-1-(5-hydroxynaphthalen-1-yl)pyrrolidin-2-one?
The InChIKey is HBFPLXJYDJQCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c16-8-10-7-15(19)17(9-10)13-5-1-4-12-11(13)3-2-6-14(12)18/h1-6,10,18H,7-9,16H2.
What are the key properties of 4-(aminomethyl)-1-(5-hydroxynaphthalen-1-yl)pyrrolidin-2-one?
4-(aminomethyl)-1-(5-hydroxynaphthalen-1-yl)pyrrolidin-2-one has a molecular weight of 256.31 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-(5-hydroxynaphthalen-1-yl)pyrrolidin-2-one is sourced from PubChem (CID 168661049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).