1-(furan-3-yl)-2,9-dihydropyrido[3,4-b]indol-7-one

C15H10N2O2 — CID 59620154

IUPAC1-(furan-3-yl)-2,9-dihydropyrido[3,4-b]indol-7-one
SMILESO=c1ccc2c(c1)[nH]c1c(-c3ccoc3)[nH]ccc12
InChIInChI=1S/C15H10N2O2/c18-10-1-2-11-12-3-5-16-14(9-4-6-19-8-9)15(12)17-13(11)7-10/h1-8,16-17H
InChIKeyTZPWCZCCUOCEPR-UHFFFAOYSA-N
MW250.26 g/mol
LogP3.27
Rot. Bonds1

About 1-(furan-3-yl)-2,9-dihydropyrido[3,4-b]indol-7-one

1-(furan-3-yl)-2,9-dihydropyrido[3,4-b]indol-7-one (PubChem CID 59620154) has the molecular formula C15H10N2O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is 1-(furan-3-yl)-2,9-dihydropyrido[3,4-b]indol-7-one.

Molecular Properties

Compound Name1-(furan-3-yl)-2,9-dihydropyrido[3,4-b]indol-7-one
PubChem CID59620154
Molecular FormulaC15H10N2O2
Molecular Weight250.26 g/mol
Exact Mass250.07
IUPAC Name1-(furan-3-yl)-2,9-dihydropyrido[3,4-b]indol-7-one
SMILESO=c1ccc2c(c1)[nH]c1c(-c3ccoc3)[nH]ccc12
InChIInChI=1S/C15H10N2O2/c18-10-1-2-11-12-3-5-16-14(9-4-6-19-8-9)15(12)17-13(11)7-10/h1-8,16-17H
InChIKeyTZPWCZCCUOCEPR-UHFFFAOYSA-N
XLogP3.27
TPSA61.79 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-2,9-dihydropyrido[3,4-b]indol-7-one?
The IUPAC name of 1-(furan-3-yl)-2,9-dihydropyrido[3,4-b]indol-7-one (CID 59620154) is 1-(furan-3-yl)-2,9-dihydropyrido[3,4-b]indol-7-one.
What is the SMILES notation for 1-(furan-3-yl)-2,9-dihydropyrido[3,4-b]indol-7-one?
The canonical SMILES for 1-(furan-3-yl)-2,9-dihydropyrido[3,4-b]indol-7-one is O=c1ccc2c(c1)[nH]c1c(-c3ccoc3)[nH]ccc12.
What is the InChIKey of 1-(furan-3-yl)-2,9-dihydropyrido[3,4-b]indol-7-one?
The InChIKey is TZPWCZCCUOCEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O2/c18-10-1-2-11-12-3-5-16-14(9-4-6-19-8-9)15(12)17-13(11)7-10/h1-8,16-17H.
What are the key properties of 1-(furan-3-yl)-2,9-dihydropyrido[3,4-b]indol-7-one?
1-(furan-3-yl)-2,9-dihydropyrido[3,4-b]indol-7-one has a molecular weight of 250.26 g/mol, XLogP of 3.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-2,9-dihydropyrido[3,4-b]indol-7-one is sourced from PubChem (CID 59620154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).