3'-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione

C19H19N3O3 — CID 112774183

About 3'-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione

3'-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione (PubChem CID 112774183) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 3'-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione.

Molecular Properties

• Compound Name: 3'-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
• PubChem CID: 112774183
• Molecular Formula: C19H19N3O3
• Molecular Weight: 337.38 g/mol
• Exact Mass: 337.14
• IUPAC Name: 3'-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
• SMILES: Cn1cccc1C(=O)CN1C(=O)NC2(CCc3ccccc3C2)C1=O
• InChI: InChI=1S/C19H19N3O3/c1-21-10-4-7-15(21)16(23)12-22-17(24)19(20-18(22)25)9-8-13-5-2-3-6-14(13)11-19/h2-7,10H,8-9,11-12H2,1H3,(H,20,25)
• InChIKey: GYWNKPZDSUDGGQ-UHFFFAOYSA-N
• XLogP: 1.69
• TPSA: 71.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.38
LogP ≤ 5	1.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3'-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione?

The IUPAC name of 3'-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione (CID 112774183) is 3'-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione.

What is the SMILES notation for 3'-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione?

The canonical SMILES for 3'-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione is Cn1cccc1C(=O)CN1C(=O)NC2(CCc3ccccc3C2)C1=O.

What is the InChIKey of 3'-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione?

The InChIKey is GYWNKPZDSUDGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-21-10-4-7-15(21)16(23)12-22-17(24)19(20-18(22)25)9-8-13-5-2-3-6-14(13)11-19/h2-7,10H,8-9,11-12H2,1H3,(H,20,25).

What are the key properties of 3'-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione?

3'-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione has a molecular weight of 337.38 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3'-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 112774183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).