1',3',6-trimethylspiro[1,3-dihydrocyclopenta[b]naphthalene-2,5'-imidazolidine]-2',4'-dione

C18H18N2O2 — CID 58248297

IUPAC1',3',6-trimethylspiro[1,3-dihydrocyclopenta[b]naphthalene-2,5'-imidazolidine]-2',4'-dione
SMILESCc1ccc2cc3c(cc2c1)CC1(C3)C(=O)N(C)C(=O)N1C
InChIInChI=1S/C18H18N2O2/c1-11-4-5-12-7-14-9-18(10-15(14)8-13(12)6-11)16(21)19(2)17(22)20(18)3/h4-8H,9-10H2,1-3H3
InChIKeyFBFXLTIOLFQRBM-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.51
Rot. Bonds

About 1',3',6-trimethylspiro[1,3-dihydrocyclopenta[b]naphthalene-2,5'-imidazolidine]-2',4'-dione

1',3',6-trimethylspiro[1,3-dihydrocyclopenta[b]naphthalene-2,5'-imidazolidine]-2',4'-dione (PubChem CID 58248297) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1',3',6-trimethylspiro[1,3-dihydrocyclopenta[b]naphthalene-2,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name1',3',6-trimethylspiro[1,3-dihydrocyclopenta[b]naphthalene-2,5'-imidazolidine]-2',4'-dione
PubChem CID58248297
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name1',3',6-trimethylspiro[1,3-dihydrocyclopenta[b]naphthalene-2,5'-imidazolidine]-2',4'-dione
SMILESCc1ccc2cc3c(cc2c1)CC1(C3)C(=O)N(C)C(=O)N1C
InChIInChI=1S/C18H18N2O2/c1-11-4-5-12-7-14-9-18(10-15(14)8-13(12)6-11)16(21)19(2)17(22)20(18)3/h4-8H,9-10H2,1-3H3
InChIKeyFBFXLTIOLFQRBM-UHFFFAOYSA-N
XLogP2.51
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1',3',6-trimethylspiro[1,3-dihydrocyclopenta[b]naphthalene-2,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 1',3',6-trimethylspiro[1,3-dihydrocyclopenta[b]naphthalene-2,5'-imidazolidine]-2',4'-dione (CID 58248297) is 1',3',6-trimethylspiro[1,3-dihydrocyclopenta[b]naphthalene-2,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 1',3',6-trimethylspiro[1,3-dihydrocyclopenta[b]naphthalene-2,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 1',3',6-trimethylspiro[1,3-dihydrocyclopenta[b]naphthalene-2,5'-imidazolidine]-2',4'-dione is Cc1ccc2cc3c(cc2c1)CC1(C3)C(=O)N(C)C(=O)N1C.
What is the InChIKey of 1',3',6-trimethylspiro[1,3-dihydrocyclopenta[b]naphthalene-2,5'-imidazolidine]-2',4'-dione?
The InChIKey is FBFXLTIOLFQRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-11-4-5-12-7-14-9-18(10-15(14)8-13(12)6-11)16(21)19(2)17(22)20(18)3/h4-8H,9-10H2,1-3H3.
What are the key properties of 1',3',6-trimethylspiro[1,3-dihydrocyclopenta[b]naphthalene-2,5'-imidazolidine]-2',4'-dione?
1',3',6-trimethylspiro[1,3-dihydrocyclopenta[b]naphthalene-2,5'-imidazolidine]-2',4'-dione has a molecular weight of 294.35 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1',3',6-trimethylspiro[1,3-dihydrocyclopenta[b]naphthalene-2,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 58248297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).