1-[2-[2-(naphthalen-1-ylmethyl)morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one

C21H24N2O3 — CID 45187482

IUPAC1-[2-[2-(naphthalen-1-ylmethyl)morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(=O)N1CCOC(Cc2cccc3ccccc23)C1
InChIInChI=1S/C21H24N2O3/c24-20-9-4-10-22(20)15-21(25)23-11-12-26-18(14-23)13-17-7-3-6-16-5-1-2-8-19(16)17/h1-3,5-8,18H,4,9-15H2
InChIKeyIARSCCRYMBBNFC-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.23
Rot. Bonds4

About 1-[2-[2-(naphthalen-1-ylmethyl)morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one

1-[2-[2-(naphthalen-1-ylmethyl)morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one (PubChem CID 45187482) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 1-[2-[2-(naphthalen-1-ylmethyl)morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[2-(naphthalen-1-ylmethyl)morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one
PubChem CID45187482
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name1-[2-[2-(naphthalen-1-ylmethyl)morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(=O)N1CCOC(Cc2cccc3ccccc23)C1
InChIInChI=1S/C21H24N2O3/c24-20-9-4-10-22(20)15-21(25)23-11-12-26-18(14-23)13-17-7-3-6-16-5-1-2-8-19(16)17/h1-3,5-8,18H,4,9-15H2
InChIKeyIARSCCRYMBBNFC-UHFFFAOYSA-N
XLogP2.23
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(naphthalen-1-ylmethyl)morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[2-(naphthalen-1-ylmethyl)morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one (CID 45187482) is 1-[2-[2-(naphthalen-1-ylmethyl)morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[2-(naphthalen-1-ylmethyl)morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[2-(naphthalen-1-ylmethyl)morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one is O=C1CCCN1CC(=O)N1CCOC(Cc2cccc3ccccc23)C1.
What is the InChIKey of 1-[2-[2-(naphthalen-1-ylmethyl)morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one?
The InChIKey is IARSCCRYMBBNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c24-20-9-4-10-22(20)15-21(25)23-11-12-26-18(14-23)13-17-7-3-6-16-5-1-2-8-19(16)17/h1-3,5-8,18H,4,9-15H2.
What are the key properties of 1-[2-[2-(naphthalen-1-ylmethyl)morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one?
1-[2-[2-(naphthalen-1-ylmethyl)morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one has a molecular weight of 352.43 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(naphthalen-1-ylmethyl)morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one is sourced from PubChem (CID 45187482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).