1-(1,2,3,4,4a,5a,6,7-octahydropyrido[4,3-b]indol-5-yl)ethanone

C13H18N2O — CID 151760552

IUPAC1-(1,2,3,4,4a,5a,6,7-octahydropyrido[4,3-b]indol-5-yl)ethanone
SMILESCC(=O)N1C2CCC=CC2=C2CNCCC21
InChIInChI=1S/C13H18N2O/c1-9(16)15-12-5-3-2-4-10(12)11-8-14-7-6-13(11)15/h2,4,12-14H,3,5-8H2,1H3
InChIKeyRQLVYABIUKTUBM-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.23
Rot. Bonds

About 1-(1,2,3,4,4a,5a,6,7-octahydropyrido[4,3-b]indol-5-yl)ethanone

1-(1,2,3,4,4a,5a,6,7-octahydropyrido[4,3-b]indol-5-yl)ethanone (PubChem CID 151760552) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(1,2,3,4,4a,5a,6,7-octahydropyrido[4,3-b]indol-5-yl)ethanone.

Molecular Properties

Compound Name1-(1,2,3,4,4a,5a,6,7-octahydropyrido[4,3-b]indol-5-yl)ethanone
PubChem CID151760552
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-(1,2,3,4,4a,5a,6,7-octahydropyrido[4,3-b]indol-5-yl)ethanone
SMILESCC(=O)N1C2CCC=CC2=C2CNCCC21
InChIInChI=1S/C13H18N2O/c1-9(16)15-12-5-3-2-4-10(12)11-8-14-7-6-13(11)15/h2,4,12-14H,3,5-8H2,1H3
InChIKeyRQLVYABIUKTUBM-UHFFFAOYSA-N
XLogP1.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4,4a,5a,6,7-octahydropyrido[4,3-b]indol-5-yl)ethanone?
The IUPAC name of 1-(1,2,3,4,4a,5a,6,7-octahydropyrido[4,3-b]indol-5-yl)ethanone (CID 151760552) is 1-(1,2,3,4,4a,5a,6,7-octahydropyrido[4,3-b]indol-5-yl)ethanone.
What is the SMILES notation for 1-(1,2,3,4,4a,5a,6,7-octahydropyrido[4,3-b]indol-5-yl)ethanone?
The canonical SMILES for 1-(1,2,3,4,4a,5a,6,7-octahydropyrido[4,3-b]indol-5-yl)ethanone is CC(=O)N1C2CCC=CC2=C2CNCCC21.
What is the InChIKey of 1-(1,2,3,4,4a,5a,6,7-octahydropyrido[4,3-b]indol-5-yl)ethanone?
The InChIKey is RQLVYABIUKTUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9(16)15-12-5-3-2-4-10(12)11-8-14-7-6-13(11)15/h2,4,12-14H,3,5-8H2,1H3.
What are the key properties of 1-(1,2,3,4,4a,5a,6,7-octahydropyrido[4,3-b]indol-5-yl)ethanone?
1-(1,2,3,4,4a,5a,6,7-octahydropyrido[4,3-b]indol-5-yl)ethanone has a molecular weight of 218.30 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4,4a,5a,6,7-octahydropyrido[4,3-b]indol-5-yl)ethanone is sourced from PubChem (CID 151760552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).