5,8-dimethyl-7-phenyl-6H-furo[3,4-e]indole-1,3-dione

C18H13NO3 — CID 139613810

IUPAC5,8-dimethyl-7-phenyl-6H-furo[3,4-e]indole-1,3-dione
SMILESCc1cc2c(c3c(C)c(-c4ccccc4)[nH]c13)C(=O)OC2=O
InChIInChI=1S/C18H13NO3/c1-9-8-12-14(18(21)22-17(12)20)13-10(2)16(19-15(9)13)11-6-4-3-5-7-11/h3-8,19H,1-2H3
InChIKeyVBVQFXTZXIUHAD-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.76
Rot. Bonds1

About 5,8-dimethyl-7-phenyl-6H-furo[3,4-e]indole-1,3-dione

5,8-dimethyl-7-phenyl-6H-furo[3,4-e]indole-1,3-dione (PubChem CID 139613810) has the molecular formula C18H13NO3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 5,8-dimethyl-7-phenyl-6H-furo[3,4-e]indole-1,3-dione.

Molecular Properties

Compound Name5,8-dimethyl-7-phenyl-6H-furo[3,4-e]indole-1,3-dione
PubChem CID139613810
Molecular FormulaC18H13NO3
Molecular Weight291.31 g/mol
Exact Mass291.09
IUPAC Name5,8-dimethyl-7-phenyl-6H-furo[3,4-e]indole-1,3-dione
SMILESCc1cc2c(c3c(C)c(-c4ccccc4)[nH]c13)C(=O)OC2=O
InChIInChI=1S/C18H13NO3/c1-9-8-12-14(18(21)22-17(12)20)13-10(2)16(19-15(9)13)11-6-4-3-5-7-11/h3-8,19H,1-2H3
InChIKeyVBVQFXTZXIUHAD-UHFFFAOYSA-N
XLogP3.76
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-7-phenyl-6H-furo[3,4-e]indole-1,3-dione?
The IUPAC name of 5,8-dimethyl-7-phenyl-6H-furo[3,4-e]indole-1,3-dione (CID 139613810) is 5,8-dimethyl-7-phenyl-6H-furo[3,4-e]indole-1,3-dione.
What is the SMILES notation for 5,8-dimethyl-7-phenyl-6H-furo[3,4-e]indole-1,3-dione?
The canonical SMILES for 5,8-dimethyl-7-phenyl-6H-furo[3,4-e]indole-1,3-dione is Cc1cc2c(c3c(C)c(-c4ccccc4)[nH]c13)C(=O)OC2=O.
What is the InChIKey of 5,8-dimethyl-7-phenyl-6H-furo[3,4-e]indole-1,3-dione?
The InChIKey is VBVQFXTZXIUHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO3/c1-9-8-12-14(18(21)22-17(12)20)13-10(2)16(19-15(9)13)11-6-4-3-5-7-11/h3-8,19H,1-2H3.
What are the key properties of 5,8-dimethyl-7-phenyl-6H-furo[3,4-e]indole-1,3-dione?
5,8-dimethyl-7-phenyl-6H-furo[3,4-e]indole-1,3-dione has a molecular weight of 291.31 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-7-phenyl-6H-furo[3,4-e]indole-1,3-dione is sourced from PubChem (CID 139613810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).