1-(5H-pyrido[4,3-b]indol-8-yl)propan-2-one

C14H12N2O — CID 116985878

IUPAC1-(5H-pyrido[4,3-b]indol-8-yl)propan-2-one
SMILESCC(=O)Cc1ccc2[nH]c3ccncc3c2c1
InChIInChI=1S/C14H12N2O/c1-9(17)6-10-2-3-13-11(7-10)12-8-15-5-4-14(12)16-13/h2-5,7-8,16H,6H2,1H3
InChIKeyKKURDWSJVVJRGC-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.85
Rot. Bonds2

About 1-(5H-pyrido[4,3-b]indol-8-yl)propan-2-one

1-(5H-pyrido[4,3-b]indol-8-yl)propan-2-one (PubChem CID 116985878) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-(5H-pyrido[4,3-b]indol-8-yl)propan-2-one.

Molecular Properties

Compound Name1-(5H-pyrido[4,3-b]indol-8-yl)propan-2-one
PubChem CID116985878
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name1-(5H-pyrido[4,3-b]indol-8-yl)propan-2-one
SMILESCC(=O)Cc1ccc2[nH]c3ccncc3c2c1
InChIInChI=1S/C14H12N2O/c1-9(17)6-10-2-3-13-11(7-10)12-8-15-5-4-14(12)16-13/h2-5,7-8,16H,6H2,1H3
InChIKeyKKURDWSJVVJRGC-UHFFFAOYSA-N
XLogP2.85
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5H-pyrido[4,3-b]indol-8-yl)propan-2-one?
The IUPAC name of 1-(5H-pyrido[4,3-b]indol-8-yl)propan-2-one (CID 116985878) is 1-(5H-pyrido[4,3-b]indol-8-yl)propan-2-one.
What is the SMILES notation for 1-(5H-pyrido[4,3-b]indol-8-yl)propan-2-one?
The canonical SMILES for 1-(5H-pyrido[4,3-b]indol-8-yl)propan-2-one is CC(=O)Cc1ccc2[nH]c3ccncc3c2c1.
What is the InChIKey of 1-(5H-pyrido[4,3-b]indol-8-yl)propan-2-one?
The InChIKey is KKURDWSJVVJRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-9(17)6-10-2-3-13-11(7-10)12-8-15-5-4-14(12)16-13/h2-5,7-8,16H,6H2,1H3.
What are the key properties of 1-(5H-pyrido[4,3-b]indol-8-yl)propan-2-one?
1-(5H-pyrido[4,3-b]indol-8-yl)propan-2-one has a molecular weight of 224.26 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5H-pyrido[4,3-b]indol-8-yl)propan-2-one is sourced from PubChem (CID 116985878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).