1-(naphthalen-1-ylmethyl)-3-(5-oxopyrrolidin-3-yl)urea

C16H17N3O2 — CID 71789120

IUPAC1-(naphthalen-1-ylmethyl)-3-(5-oxopyrrolidin-3-yl)urea
SMILESO=C1CC(NC(=O)NCc2cccc3ccccc23)CN1
InChIInChI=1S/C16H17N3O2/c20-15-8-13(10-17-15)19-16(21)18-9-12-6-3-5-11-4-1-2-7-14(11)12/h1-7,13H,8-10H2,(H,17,20)(H2,18,19,21)
InChIKeyWGGCNVYKMDFLKC-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.53
Rot. Bonds3

About 1-(naphthalen-1-ylmethyl)-3-(5-oxopyrrolidin-3-yl)urea

1-(naphthalen-1-ylmethyl)-3-(5-oxopyrrolidin-3-yl)urea (PubChem CID 71789120) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-(naphthalen-1-ylmethyl)-3-(5-oxopyrrolidin-3-yl)urea.

Molecular Properties

Compound Name1-(naphthalen-1-ylmethyl)-3-(5-oxopyrrolidin-3-yl)urea
PubChem CID71789120
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name1-(naphthalen-1-ylmethyl)-3-(5-oxopyrrolidin-3-yl)urea
SMILESO=C1CC(NC(=O)NCc2cccc3ccccc23)CN1
InChIInChI=1S/C16H17N3O2/c20-15-8-13(10-17-15)19-16(21)18-9-12-6-3-5-11-4-1-2-7-14(11)12/h1-7,13H,8-10H2,(H,17,20)(H2,18,19,21)
InChIKeyWGGCNVYKMDFLKC-UHFFFAOYSA-N
XLogP1.53
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-(naphthalen-1-ylmethylamino)piperidin-2-one
CID 63378732
1-(naphthalen-1-ylmethyl)-3-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]urea
CID 124759538
1-[(3R)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea
CID 95985030
1-(2-hydroxyethyl)-3-(5-oxopyrrolidin-3-yl)urea
CID 130625812
1-(5-oxopyrrolidin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 56765684
N-cyclopropyl-2-naphthalen-1-ylacetamide
CID 976036
1-naphthalen-1-yl-3-(naphthalen-1-ylmethyl)urea
CID 27185701
1-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-3-propylurea
CID 25306313
1-(2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-1-ylmethyl)urea
CID 57264395
4-[(2-hydroxynaphthalen-1-yl)methylamino]pyrrolidin-2-one
CID 106184475
N-(6-oxopiperidin-3-yl)naphthalene-1-carboxamide
CID 62491603
1-(naphthalen-1-ylmethyl)-3-(piperidin-4-ylmethyl)urea
CID 22719668

Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-1-ylmethyl)-3-(5-oxopyrrolidin-3-yl)urea?
The IUPAC name of 1-(naphthalen-1-ylmethyl)-3-(5-oxopyrrolidin-3-yl)urea (CID 71789120) is 1-(naphthalen-1-ylmethyl)-3-(5-oxopyrrolidin-3-yl)urea.
What is the SMILES notation for 1-(naphthalen-1-ylmethyl)-3-(5-oxopyrrolidin-3-yl)urea?
The canonical SMILES for 1-(naphthalen-1-ylmethyl)-3-(5-oxopyrrolidin-3-yl)urea is O=C1CC(NC(=O)NCc2cccc3ccccc23)CN1.
What is the InChIKey of 1-(naphthalen-1-ylmethyl)-3-(5-oxopyrrolidin-3-yl)urea?
The InChIKey is WGGCNVYKMDFLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c20-15-8-13(10-17-15)19-16(21)18-9-12-6-3-5-11-4-1-2-7-14(11)12/h1-7,13H,8-10H2,(H,17,20)(H2,18,19,21).
What are the key properties of 1-(naphthalen-1-ylmethyl)-3-(5-oxopyrrolidin-3-yl)urea?
1-(naphthalen-1-ylmethyl)-3-(5-oxopyrrolidin-3-yl)urea has a molecular weight of 283.33 g/mol, XLogP of 1.53, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-1-ylmethyl)-3-(5-oxopyrrolidin-3-yl)urea is sourced from PubChem (CID 71789120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).