5-ethyl-4-(6-methoxynaphthalen-2-yl)-4-methylpyrrolidin-2-one

C18H21NO2 — CID 66108722

IUPAC5-ethyl-4-(6-methoxynaphthalen-2-yl)-4-methylpyrrolidin-2-one
SMILESCCC1NC(=O)CC1(C)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C18H21NO2/c1-4-16-18(2,11-17(20)19-16)14-7-5-13-10-15(21-3)8-6-12(13)9-14/h5-10,16H,4,11H2,1-3H3,(H,19,20)
InChIKeyTWNNVLZMTGNBNA-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.40
Rot. Bonds3

About 5-ethyl-4-(6-methoxynaphthalen-2-yl)-4-methylpyrrolidin-2-one

5-ethyl-4-(6-methoxynaphthalen-2-yl)-4-methylpyrrolidin-2-one (PubChem CID 66108722) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 5-ethyl-4-(6-methoxynaphthalen-2-yl)-4-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-ethyl-4-(6-methoxynaphthalen-2-yl)-4-methylpyrrolidin-2-one
PubChem CID66108722
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name5-ethyl-4-(6-methoxynaphthalen-2-yl)-4-methylpyrrolidin-2-one
SMILESCCC1NC(=O)CC1(C)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C18H21NO2/c1-4-16-18(2,11-17(20)19-16)14-7-5-13-10-15(21-3)8-6-12(13)9-14/h5-10,16H,4,11H2,1-3H3,(H,19,20)
InChIKeyTWNNVLZMTGNBNA-UHFFFAOYSA-N
XLogP3.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(6-methoxynaphthalen-2-yl)-4-methylpyrrolidin-2-one?
The IUPAC name of 5-ethyl-4-(6-methoxynaphthalen-2-yl)-4-methylpyrrolidin-2-one (CID 66108722) is 5-ethyl-4-(6-methoxynaphthalen-2-yl)-4-methylpyrrolidin-2-one.
What is the SMILES notation for 5-ethyl-4-(6-methoxynaphthalen-2-yl)-4-methylpyrrolidin-2-one?
The canonical SMILES for 5-ethyl-4-(6-methoxynaphthalen-2-yl)-4-methylpyrrolidin-2-one is CCC1NC(=O)CC1(C)c1ccc2cc(OC)ccc2c1.
What is the InChIKey of 5-ethyl-4-(6-methoxynaphthalen-2-yl)-4-methylpyrrolidin-2-one?
The InChIKey is TWNNVLZMTGNBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-4-16-18(2,11-17(20)19-16)14-7-5-13-10-15(21-3)8-6-12(13)9-14/h5-10,16H,4,11H2,1-3H3,(H,19,20).
What are the key properties of 5-ethyl-4-(6-methoxynaphthalen-2-yl)-4-methylpyrrolidin-2-one?
5-ethyl-4-(6-methoxynaphthalen-2-yl)-4-methylpyrrolidin-2-one has a molecular weight of 283.37 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(6-methoxynaphthalen-2-yl)-4-methylpyrrolidin-2-one is sourced from PubChem (CID 66108722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).