1-(1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-5-yl)ethanone

C13H16N2O — CID 146675585

IUPAC1-(1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-5-yl)ethanone
SMILESCC(=O)N1c2ccccc2C2CNCCC21
InChIInChI=1S/C13H16N2O/c1-9(16)15-12-5-3-2-4-10(12)11-8-14-7-6-13(11)15/h2-5,11,13-14H,6-8H2,1H3
InChIKeyVCHMFUOHDGZSMX-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.50
Rot. Bonds

About 1-(1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-5-yl)ethanone

1-(1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-5-yl)ethanone (PubChem CID 146675585) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-5-yl)ethanone.

Molecular Properties

Compound Name1-(1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-5-yl)ethanone
PubChem CID146675585
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-(1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-5-yl)ethanone
SMILESCC(=O)N1c2ccccc2C2CNCCC21
InChIInChI=1S/C13H16N2O/c1-9(16)15-12-5-3-2-4-10(12)11-8-14-7-6-13(11)15/h2-5,11,13-14H,6-8H2,1H3
InChIKeyVCHMFUOHDGZSMX-UHFFFAOYSA-N
XLogP1.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4aS,9bR)-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole-5-carboxamide
CID 125219355
5-methyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole;dihydrochloride
CID 146675581
5-ethyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole
CID 146675583
5-ethyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole;dihydrochloride
CID 146675582
5-(2-phenylethyl)-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole
CID 18788976
1-[(2S,3S)-2,3-dimethyl-2,3-dihydroindol-1-yl]ethanone
CID 101425318
1-(2-hydroxy-3,4,4a,9a-tetrahydro-2H-pyrano[2,3-b]indol-9-yl)ethanone
CID 12009231
1-[(1R,2R,11S,12S)-13-acetyl-9,13-diazapentacyclo[10.7.1.02,11.03,8.014,19]icosa-3,5,7,14,16,18-hexaen-9-yl]ethanone
CID 11142538
(10R,15S)-4-ethyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene
CID 21302497
1-[(1S)-1-methoxy-1,2,3,4,4a,9a-hexahydrocarbazol-9-yl]ethanone
CID 154720240
1-acetyl-2-methyl-3,4-dihydro-2H-quinoline-4-carbaldehyde
CID 102567879
1-[(1aS,2S,7bS)-2-methyl-2,7b-dihydro-1aH-oxireno[2,3-c]quinolin-3-yl]ethanone
CID 124630057

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-5-yl)ethanone?
The IUPAC name of 1-(1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-5-yl)ethanone (CID 146675585) is 1-(1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-5-yl)ethanone.
What is the SMILES notation for 1-(1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-5-yl)ethanone?
The canonical SMILES for 1-(1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-5-yl)ethanone is CC(=O)N1c2ccccc2C2CNCCC21.
What is the InChIKey of 1-(1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-5-yl)ethanone?
The InChIKey is VCHMFUOHDGZSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9(16)15-12-5-3-2-4-10(12)11-8-14-7-6-13(11)15/h2-5,11,13-14H,6-8H2,1H3.
What are the key properties of 1-(1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-5-yl)ethanone?
1-(1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-5-yl)ethanone has a molecular weight of 216.28 g/mol, XLogP of 1.50, 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,9b-hexahydropyrido[4,3-b]indol-5-yl)ethanone is sourced from PubChem (CID 146675585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).