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

C23H28N2O3 — CID 25365144

IUPAC1-[4-[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]-4-oxobutyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCC(=O)N1CCO[C@@H](Cc2cccc3ccccc23)C1
InChIInChI=1S/C23H28N2O3/c26-22-10-4-12-24(22)13-5-11-23(27)25-14-15-28-20(17-25)16-19-8-3-7-18-6-1-2-9-21(18)19/h1-3,6-9,20H,4-5,10-17H2/t20-/m0/s1
InChIKeyYFLLWGHFPRDKDW-FQEVSTJZSA-N
MW380.49 g/mol
LogP3.01
Rot. Bonds6

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

1-[4-[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]-4-oxobutyl]pyrrolidin-2-one (PubChem CID 25365144) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-[4-[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]-4-oxobutyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]-4-oxobutyl]pyrrolidin-2-one
PubChem CID25365144
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name1-[4-[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]-4-oxobutyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCC(=O)N1CCO[C@@H](Cc2cccc3ccccc23)C1
InChIInChI=1S/C23H28N2O3/c26-22-10-4-12-24(22)13-5-11-23(27)25-14-15-28-20(17-25)16-19-8-3-7-18-6-1-2-9-21(18)19/h1-3,6-9,20H,4-5,10-17H2/t20-/m0/s1
InChIKeyYFLLWGHFPRDKDW-FQEVSTJZSA-N
XLogP3.01
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]-4-oxobutyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]-4-oxobutyl]pyrrolidin-2-one (CID 25365144) is 1-[4-[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]-4-oxobutyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]-4-oxobutyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]-4-oxobutyl]pyrrolidin-2-one is O=C1CCCN1CCCC(=O)N1CCO[C@@H](Cc2cccc3ccccc23)C1.
What is the InChIKey of 1-[4-[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]-4-oxobutyl]pyrrolidin-2-one?
The InChIKey is YFLLWGHFPRDKDW-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H28N2O3/c26-22-10-4-12-24(22)13-5-11-23(27)25-14-15-28-20(17-25)16-19-8-3-7-18-6-1-2-9-21(18)19/h1-3,6-9,20H,4-5,10-17H2/t20-/m0/s1.
What are the key properties of 1-[4-[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]-4-oxobutyl]pyrrolidin-2-one?
1-[4-[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]-4-oxobutyl]pyrrolidin-2-one has a molecular weight of 380.49 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]-4-oxobutyl]pyrrolidin-2-one is sourced from PubChem (CID 25365144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).