4-[(2-hydroxynaphthalen-1-yl)methylamino]pyrrolidin-2-one

C15H16N2O2 — CID 106184475

IUPAC4-[(2-hydroxynaphthalen-1-yl)methylamino]pyrrolidin-2-one
SMILESO=C1CC(NCc2c(O)ccc3ccccc23)CN1
InChIInChI=1S/C15H16N2O2/c18-14-6-5-10-3-1-2-4-12(10)13(14)9-16-11-7-15(19)17-8-11/h1-6,11,16,18H,7-9H2,(H,17,19)
InChIKeyIKXNPKCJQSIZGA-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.52
Rot. Bonds3

About 4-[(2-hydroxynaphthalen-1-yl)methylamino]pyrrolidin-2-one

4-[(2-hydroxynaphthalen-1-yl)methylamino]pyrrolidin-2-one (PubChem CID 106184475) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-[(2-hydroxynaphthalen-1-yl)methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(2-hydroxynaphthalen-1-yl)methylamino]pyrrolidin-2-one
PubChem CID106184475
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name4-[(2-hydroxynaphthalen-1-yl)methylamino]pyrrolidin-2-one
SMILESO=C1CC(NCc2c(O)ccc3ccccc23)CN1
InChIInChI=1S/C15H16N2O2/c18-14-6-5-10-3-1-2-4-12(10)13(14)9-16-11-7-15(19)17-8-11/h1-6,11,16,18H,7-9H2,(H,17,19)
InChIKeyIKXNPKCJQSIZGA-UHFFFAOYSA-N
XLogP1.52
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 4-[(2-hydroxynaphthalen-1-yl)methylamino]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[(1,1-dioxothian-4-yl)amino]methyl]naphthalen-2-ol
CID 43615080
4-(quinolin-2-ylmethylamino)pyrrolidin-2-one
CID 114155310
1-[[(4-methylcyclohexyl)amino]methyl]naphthalen-2-ol;hydrochloride
CID 44531473
1-[[(1-methylpiperidin-4-yl)amino]methyl]naphthalen-2-ol
CID 43373408
5-(naphthalen-1-ylmethylamino)piperidin-2-one
CID 63378732
1-[[(3-methylcyclohexyl)amino]methyl]naphthalen-2-ol;hydrochloride
CID 44531472
1-(naphthalen-1-ylmethyl)-3-(5-oxopyrrolidin-3-yl)urea
CID 71789120
N-[2-[[(5-oxopyrrolidin-3-yl)amino]methyl]phenyl]acetamide
CID 114155218
1-[[(2,3-dimethylcyclopentyl)amino]methyl]naphthalen-2-ol
CID 64910405
4-[(5-chlorofuran-2-yl)methylamino]pyrrolidin-2-one
CID 106181767
4-[(2-chlorothiophen-3-yl)methylamino]pyrrolidin-2-one
CID 130681741
1-[[[(1R)-1-cyclopentylethyl]amino]methyl]naphthalen-2-ol
CID 81394953

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxynaphthalen-1-yl)methylamino]pyrrolidin-2-one?
The IUPAC name of 4-[(2-hydroxynaphthalen-1-yl)methylamino]pyrrolidin-2-one (CID 106184475) is 4-[(2-hydroxynaphthalen-1-yl)methylamino]pyrrolidin-2-one.
What is the SMILES notation for 4-[(2-hydroxynaphthalen-1-yl)methylamino]pyrrolidin-2-one?
The canonical SMILES for 4-[(2-hydroxynaphthalen-1-yl)methylamino]pyrrolidin-2-one is O=C1CC(NCc2c(O)ccc3ccccc23)CN1.
What is the InChIKey of 4-[(2-hydroxynaphthalen-1-yl)methylamino]pyrrolidin-2-one?
The InChIKey is IKXNPKCJQSIZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c18-14-6-5-10-3-1-2-4-12(10)13(14)9-16-11-7-15(19)17-8-11/h1-6,11,16,18H,7-9H2,(H,17,19).
What are the key properties of 4-[(2-hydroxynaphthalen-1-yl)methylamino]pyrrolidin-2-one?
4-[(2-hydroxynaphthalen-1-yl)methylamino]pyrrolidin-2-one has a molecular weight of 256.31 g/mol, XLogP of 1.52, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxynaphthalen-1-yl)methylamino]pyrrolidin-2-one is sourced from PubChem (CID 106184475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).