5,5-dimethyl-4-naphthalen-1-ylpyrrolidin-2-one

C16H17NO — CID 66107850

IUPAC5,5-dimethyl-4-naphthalen-1-ylpyrrolidin-2-one
SMILESCC1(C)NC(=O)CC1c1cccc2ccccc12
InChIInChI=1S/C16H17NO/c1-16(2)14(10-15(18)17-16)13-9-5-7-11-6-3-4-8-12(11)13/h3-9,14H,10H2,1-2H3,(H,17,18)
InChIKeySKMOKWVGUXVZFB-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.22
Rot. Bonds1

About 5,5-dimethyl-4-naphthalen-1-ylpyrrolidin-2-one

5,5-dimethyl-4-naphthalen-1-ylpyrrolidin-2-one (PubChem CID 66107850) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 5,5-dimethyl-4-naphthalen-1-ylpyrrolidin-2-one.

Molecular Properties

Compound Name5,5-dimethyl-4-naphthalen-1-ylpyrrolidin-2-one
PubChem CID66107850
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name5,5-dimethyl-4-naphthalen-1-ylpyrrolidin-2-one
SMILESCC1(C)NC(=O)CC1c1cccc2ccccc12
InChIInChI=1S/C16H17NO/c1-16(2)14(10-15(18)17-16)13-9-5-7-11-6-3-4-8-12(11)13/h3-9,14H,10H2,1-2H3,(H,17,18)
InChIKeySKMOKWVGUXVZFB-UHFFFAOYSA-N
XLogP3.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-4-naphthalen-1-ylpyrrolidin-2-one?
The IUPAC name of 5,5-dimethyl-4-naphthalen-1-ylpyrrolidin-2-one (CID 66107850) is 5,5-dimethyl-4-naphthalen-1-ylpyrrolidin-2-one.
What is the SMILES notation for 5,5-dimethyl-4-naphthalen-1-ylpyrrolidin-2-one?
The canonical SMILES for 5,5-dimethyl-4-naphthalen-1-ylpyrrolidin-2-one is CC1(C)NC(=O)CC1c1cccc2ccccc12.
What is the InChIKey of 5,5-dimethyl-4-naphthalen-1-ylpyrrolidin-2-one?
The InChIKey is SKMOKWVGUXVZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-16(2)14(10-15(18)17-16)13-9-5-7-11-6-3-4-8-12(11)13/h3-9,14H,10H2,1-2H3,(H,17,18).
What are the key properties of 5,5-dimethyl-4-naphthalen-1-ylpyrrolidin-2-one?
5,5-dimethyl-4-naphthalen-1-ylpyrrolidin-2-one has a molecular weight of 239.32 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-4-naphthalen-1-ylpyrrolidin-2-one is sourced from PubChem (CID 66107850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).