1-[2-(7-methoxynaphthalen-1-yl)ethyl]pyrrolidin-2-one

C17H19NO2 — CID 3071635

IUPAC1-[2-(7-methoxynaphthalen-1-yl)ethyl]pyrrolidin-2-one
SMILESCOc1ccc2cccc(CCN3CCCC3=O)c2c1
InChIInChI=1S/C17H19NO2/c1-20-15-8-7-13-4-2-5-14(16(13)12-15)9-11-18-10-3-6-17(18)19/h2,4-5,7-8,12H,3,6,9-11H2,1H3
InChIKeyWVCJRSXAPLOQKL-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.01
Rot. Bonds4

About 1-[2-(7-methoxynaphthalen-1-yl)ethyl]pyrrolidin-2-one

1-[2-(7-methoxynaphthalen-1-yl)ethyl]pyrrolidin-2-one (PubChem CID 3071635) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-[2-(7-methoxynaphthalen-1-yl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(7-methoxynaphthalen-1-yl)ethyl]pyrrolidin-2-one
PubChem CID3071635
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name1-[2-(7-methoxynaphthalen-1-yl)ethyl]pyrrolidin-2-one
SMILESCOc1ccc2cccc(CCN3CCCC3=O)c2c1
InChIInChI=1S/C17H19NO2/c1-20-15-8-7-13-4-2-5-14(16(13)12-15)9-11-18-10-3-6-17(18)19/h2,4-5,7-8,12H,3,6,9-11H2,1H3
InChIKeyWVCJRSXAPLOQKL-UHFFFAOYSA-N
XLogP3.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(7-methoxynaphthalen-1-yl)ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(7-methoxynaphthalen-1-yl)ethyl]pyrrolidin-2-one (CID 3071635) is 1-[2-(7-methoxynaphthalen-1-yl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(7-methoxynaphthalen-1-yl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(7-methoxynaphthalen-1-yl)ethyl]pyrrolidin-2-one is COc1ccc2cccc(CCN3CCCC3=O)c2c1.
What is the InChIKey of 1-[2-(7-methoxynaphthalen-1-yl)ethyl]pyrrolidin-2-one?
The InChIKey is WVCJRSXAPLOQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-20-15-8-7-13-4-2-5-14(16(13)12-15)9-11-18-10-3-6-17(18)19/h2,4-5,7-8,12H,3,6,9-11H2,1H3.
What are the key properties of 1-[2-(7-methoxynaphthalen-1-yl)ethyl]pyrrolidin-2-one?
1-[2-(7-methoxynaphthalen-1-yl)ethyl]pyrrolidin-2-one has a molecular weight of 269.34 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(7-methoxynaphthalen-1-yl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 3071635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).