6-(1-methylimidazole-2-carbonyl)-[1,3]dioxolo[4,5-g]chromen-8-one

C15H10N2O5 — CID 69221481

IUPAC6-(1-methylimidazole-2-carbonyl)-[1,3]dioxolo[4,5-g]chromen-8-one
SMILESCn1ccnc1C(=O)c1cc(=O)c2cc3c(cc2o1)OCO3
InChIInChI=1S/C15H10N2O5/c1-17-3-2-16-15(17)14(19)13-5-9(18)8-4-11-12(21-7-20-11)6-10(8)22-13/h2-6H,7H2,1H3
InChIKeyQWLYMJVIDSZQIF-UHFFFAOYSA-N
MW298.25 g/mol
LogP1.49
Rot. Bonds2

About 6-(1-methylimidazole-2-carbonyl)-[1,3]dioxolo[4,5-g]chromen-8-one

6-(1-methylimidazole-2-carbonyl)-[1,3]dioxolo[4,5-g]chromen-8-one (PubChem CID 69221481) has the molecular formula C15H10N2O5 and a molecular weight of 298.25 g/mol. Its IUPAC name is 6-(1-methylimidazole-2-carbonyl)-[1,3]dioxolo[4,5-g]chromen-8-one.

Molecular Properties

Compound Name6-(1-methylimidazole-2-carbonyl)-[1,3]dioxolo[4,5-g]chromen-8-one
PubChem CID69221481
Molecular FormulaC15H10N2O5
Molecular Weight298.25 g/mol
Exact Mass298.06
IUPAC Name6-(1-methylimidazole-2-carbonyl)-[1,3]dioxolo[4,5-g]chromen-8-one
SMILESCn1ccnc1C(=O)c1cc(=O)c2cc3c(cc2o1)OCO3
InChIInChI=1S/C15H10N2O5/c1-17-3-2-16-15(17)14(19)13-5-9(18)8-4-11-12(21-7-20-11)6-10(8)22-13/h2-6H,7H2,1H3
InChIKeyQWLYMJVIDSZQIF-UHFFFAOYSA-N
XLogP1.49
TPSA83.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.25
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methylimidazole-2-carbonyl)-[1,3]dioxolo[4,5-g]chromen-8-one?
The IUPAC name of 6-(1-methylimidazole-2-carbonyl)-[1,3]dioxolo[4,5-g]chromen-8-one (CID 69221481) is 6-(1-methylimidazole-2-carbonyl)-[1,3]dioxolo[4,5-g]chromen-8-one.
What is the SMILES notation for 6-(1-methylimidazole-2-carbonyl)-[1,3]dioxolo[4,5-g]chromen-8-one?
The canonical SMILES for 6-(1-methylimidazole-2-carbonyl)-[1,3]dioxolo[4,5-g]chromen-8-one is Cn1ccnc1C(=O)c1cc(=O)c2cc3c(cc2o1)OCO3.
What is the InChIKey of 6-(1-methylimidazole-2-carbonyl)-[1,3]dioxolo[4,5-g]chromen-8-one?
The InChIKey is QWLYMJVIDSZQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O5/c1-17-3-2-16-15(17)14(19)13-5-9(18)8-4-11-12(21-7-20-11)6-10(8)22-13/h2-6H,7H2,1H3.
What are the key properties of 6-(1-methylimidazole-2-carbonyl)-[1,3]dioxolo[4,5-g]chromen-8-one?
6-(1-methylimidazole-2-carbonyl)-[1,3]dioxolo[4,5-g]chromen-8-one has a molecular weight of 298.25 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylimidazole-2-carbonyl)-[1,3]dioxolo[4,5-g]chromen-8-one is sourced from PubChem (CID 69221481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).