5,5-dimethyl-3-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]imidazolidine-2,4-dione

C18H18N2O4 — CID 7266374

IUPAC5,5-dimethyl-3-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(Cc2cc(=O)oc3cc4c(cc23)CCC4)C1=O
InChIInChI=1S/C18H18N2O4/c1-18(2)16(22)20(17(23)19-18)9-12-8-15(21)24-14-7-11-5-3-4-10(11)6-13(12)14/h6-8H,3-5,9H2,1-2H3,(H,19,23)
InChIKeyCYMXOQZCYUBTKC-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.11
Rot. Bonds2

About 5,5-dimethyl-3-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]imidazolidine-2,4-dione

5,5-dimethyl-3-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]imidazolidine-2,4-dione (PubChem CID 7266374) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 5,5-dimethyl-3-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]imidazolidine-2,4-dione
PubChem CID7266374
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name5,5-dimethyl-3-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(Cc2cc(=O)oc3cc4c(cc23)CCC4)C1=O
InChIInChI=1S/C18H18N2O4/c1-18(2)16(22)20(17(23)19-18)9-12-8-15(21)24-14-7-11-5-3-4-10(11)6-13(12)14/h6-8H,3-5,9H2,1-2H3,(H,19,23)
InChIKeyCYMXOQZCYUBTKC-UHFFFAOYSA-N
XLogP2.11
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]imidazolidine-2,4-dione (CID 7266374) is 5,5-dimethyl-3-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]imidazolidine-2,4-dione is CC1(C)NC(=O)N(Cc2cc(=O)oc3cc4c(cc23)CCC4)C1=O.
What is the InChIKey of 5,5-dimethyl-3-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is CYMXOQZCYUBTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-18(2)16(22)20(17(23)19-18)9-12-8-15(21)24-14-7-11-5-3-4-10(11)6-13(12)14/h6-8H,3-5,9H2,1-2H3,(H,19,23).
What are the key properties of 5,5-dimethyl-3-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]imidazolidine-2,4-dione?
5,5-dimethyl-3-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 326.35 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 7266374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).