3,5-dihydropyrido[4,3-b]indol-4-one

C11H8N2O — CID 141032794

IUPAC3,5-dihydropyrido[4,3-b]indol-4-one
SMILESO=C1CN=Cc2c1[nH]c1ccccc21
InChIInChI=1S/C11H8N2O/c14-10-6-12-5-8-7-3-1-2-4-9(7)13-11(8)10/h1-5,13H,6H2
InChIKeyYEEZNLYWWQCYJW-UHFFFAOYSA-N
MW184.20 g/mol
LogP1.78
Rot. Bonds

About 3,5-dihydropyrido[4,3-b]indol-4-one

3,5-dihydropyrido[4,3-b]indol-4-one (PubChem CID 141032794) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is 3,5-dihydropyrido[4,3-b]indol-4-one.

Molecular Properties

Compound Name3,5-dihydropyrido[4,3-b]indol-4-one
PubChem CID141032794
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Name3,5-dihydropyrido[4,3-b]indol-4-one
SMILESO=C1CN=Cc2c1[nH]c1ccccc21
InChIInChI=1S/C11H8N2O/c14-10-6-12-5-8-7-3-1-2-4-9(7)13-11(8)10/h1-5,13H,6H2
InChIKeyYEEZNLYWWQCYJW-UHFFFAOYSA-N
XLogP1.78
TPSA45.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dihydropyrido[4,3-b]indol-4-one?
The IUPAC name of 3,5-dihydropyrido[4,3-b]indol-4-one (CID 141032794) is 3,5-dihydropyrido[4,3-b]indol-4-one.
What is the SMILES notation for 3,5-dihydropyrido[4,3-b]indol-4-one?
The canonical SMILES for 3,5-dihydropyrido[4,3-b]indol-4-one is O=C1CN=Cc2c1[nH]c1ccccc21.
What is the InChIKey of 3,5-dihydropyrido[4,3-b]indol-4-one?
The InChIKey is YEEZNLYWWQCYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O/c14-10-6-12-5-8-7-3-1-2-4-9(7)13-11(8)10/h1-5,13H,6H2.
What are the key properties of 3,5-dihydropyrido[4,3-b]indol-4-one?
3,5-dihydropyrido[4,3-b]indol-4-one has a molecular weight of 184.20 g/mol, XLogP of 1.78, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydropyrido[4,3-b]indol-4-one is sourced from PubChem (CID 141032794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).