(4R)-3'-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione

C18H17N3O3 — CID 8005569

About (4R)-3'-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione

(4R)-3'-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 8005569) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is (4R)-3'-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

• Compound Name: (4R)-3'-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
• PubChem CID: 8005569
• Molecular Formula: C18H17N3O3
• Molecular Weight: 323.35 g/mol
• Exact Mass: 323.13
• IUPAC Name: (4R)-3'-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
• SMILES: O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)c1ccc[nH]1
• InChI: InChI=1S/C18H17N3O3/c22-15(14-8-4-10-19-14)11-21-16(23)18(20-17(21)24)9-3-6-12-5-1-2-7-13(12)18/h1-2,4-5,7-8,10,19H,3,6,9,11H2,(H,20,24)/t18-/m1/s1
• InChIKey: AGLIYPHLLFABHT-GOSISDBHSA-N
• XLogP: 1.98
• TPSA: 82.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	323.35
LogP ≤ 5	1.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (4R)-3'-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione (CID 8005569) is (4R)-3'-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione.

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

The canonical SMILES for (4R)-3'-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione is O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)c1ccc[nH]1.

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

The InChIKey is AGLIYPHLLFABHT-GOSISDBHSA-N. The full InChI is InChI=1S/C18H17N3O3/c22-15(14-8-4-10-19-14)11-21-16(23)18(20-17(21)24)9-3-6-12-5-1-2-7-13(12)18/h1-2,4-5,7-8,10,19H,3,6,9,11H2,(H,20,24)/t18-/m1/s1.

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

(4R)-3'-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 323.35 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-3'-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 8005569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).