1-naphthalen-2-yl-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea

C17H19N3O2 — CID 78871801

IUPAC1-naphthalen-2-yl-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
SMILESO=C(NCC(=O)N1CCCC1)Nc1ccc2ccccc2c1
InChIInChI=1S/C17H19N3O2/c21-16(20-9-3-4-10-20)12-18-17(22)19-15-8-7-13-5-1-2-6-14(13)11-15/h1-2,5-8,11H,3-4,9-10,12H2,(H2,18,19,22)
InChIKeyGSQHGSRPQHBTTP-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.58
Rot. Bonds3

About 1-naphthalen-2-yl-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea

1-naphthalen-2-yl-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea (PubChem CID 78871801) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-naphthalen-2-yl-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea.

Molecular Properties

Compound Name1-naphthalen-2-yl-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
PubChem CID78871801
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name1-naphthalen-2-yl-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
SMILESO=C(NCC(=O)N1CCCC1)Nc1ccc2ccccc2c1
InChIInChI=1S/C17H19N3O2/c21-16(20-9-3-4-10-20)12-18-17(22)19-15-8-7-13-5-1-2-6-14(13)11-15/h1-2,5-8,11H,3-4,9-10,12H2,(H2,18,19,22)
InChIKeyGSQHGSRPQHBTTP-UHFFFAOYSA-N
XLogP2.58
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea?
The IUPAC name of 1-naphthalen-2-yl-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea (CID 78871801) is 1-naphthalen-2-yl-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea.
What is the SMILES notation for 1-naphthalen-2-yl-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea?
The canonical SMILES for 1-naphthalen-2-yl-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea is O=C(NCC(=O)N1CCCC1)Nc1ccc2ccccc2c1.
What is the InChIKey of 1-naphthalen-2-yl-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea?
The InChIKey is GSQHGSRPQHBTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-16(20-9-3-4-10-20)12-18-17(22)19-15-8-7-13-5-1-2-6-14(13)11-15/h1-2,5-8,11H,3-4,9-10,12H2,(H2,18,19,22).
What are the key properties of 1-naphthalen-2-yl-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea?
1-naphthalen-2-yl-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea has a molecular weight of 297.36 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea is sourced from PubChem (CID 78871801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).