1,2,3,4,7,7a,8,9,10,11-decahydropyrido[2,1-i]indol-6-one

C12H19NO — CID 85106790

IUPAC1,2,3,4,7,7a,8,9,10,11-decahydropyrido[2,1-i]indol-6-one
SMILESO=C1CC2CCCCC23CCCCN13
InChIInChI=1S/C12H19NO/c14-11-9-10-5-1-2-6-12(10)7-3-4-8-13(11)12/h10H,1-9H2
InChIKeyXEWAGBQWGMBTIG-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.33
Rot. Bonds

About 1,2,3,4,7,7a,8,9,10,11-decahydropyrido[2,1-i]indol-6-one

1,2,3,4,7,7a,8,9,10,11-decahydropyrido[2,1-i]indol-6-one (PubChem CID 85106790) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1,2,3,4,7,7a,8,9,10,11-decahydropyrido[2,1-i]indol-6-one.

Molecular Properties

Compound Name1,2,3,4,7,7a,8,9,10,11-decahydropyrido[2,1-i]indol-6-one
PubChem CID85106790
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1,2,3,4,7,7a,8,9,10,11-decahydropyrido[2,1-i]indol-6-one
SMILESO=C1CC2CCCCC23CCCCN13
InChIInChI=1S/C12H19NO/c14-11-9-10-5-1-2-6-12(10)7-3-4-8-13(11)12/h10H,1-9H2
InChIKeyXEWAGBQWGMBTIG-UHFFFAOYSA-N
XLogP2.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(11aS)-1,2,3,6,7,7a,8,9,10,11-decahydropyrrolo[2,1-j]quinolin-5-one
CID 135038985
(7aR,10aS)-1,3,4,7,7a,8,9,10-octahydrocyclopenta[i]indolizine-2,6-dione
CID 45276018
(1R,10S,12S)-12-hydroxy-5-azatricyclo[8.4.0.01,5]tetradecan-6-one
CID 71729277
(1S,12S)-5-oxa-9-azatetracyclo[7.7.0.01,12.02,6]hexadec-2(6)-ene-4,10-dione
CID 10377295
(1S,2R,13S)-5-oxa-10-azatetracyclo[8.7.0.01,13.02,7]heptadec-6-ene-4,11-dione
CID 11777432
(1S,9S)-9-hydroxy-5-azatricyclo[6.3.1.01,5]dodecan-6-one
CID 146162040
1-(1-amino-3-tricyclo[5.3.0.03,9]decanyl)pyrrolidin-2-one
CID 70313785
(1S,13S)-5-oxa-10-azatetracyclo[8.7.0.01,13.02,7]heptadec-2(7)-ene-4,11-dione
CID 10999830
(7aR,10aS)-3-(benzenesulfonyl)-1,3,4,7,7a,8,9,10-octahydrocyclopenta[i]indolizine-2,6-dione
CID 45276017
7a-amino-1-(methylaminooxy)-3,3a,4,5,6,7-hexahydroindol-2-one
CID 166456003
(3aS,7aS)-1-methyl-2-oxo-3,3a,4,5,6,7-hexahydroindole-7a-carbonitrile
CID 10954089
(1S,16S)-5,7-dioxa-13-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9-trien-14-one
CID 10957069

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,7,7a,8,9,10,11-decahydropyrido[2,1-i]indol-6-one?
The IUPAC name of 1,2,3,4,7,7a,8,9,10,11-decahydropyrido[2,1-i]indol-6-one (CID 85106790) is 1,2,3,4,7,7a,8,9,10,11-decahydropyrido[2,1-i]indol-6-one.
What is the SMILES notation for 1,2,3,4,7,7a,8,9,10,11-decahydropyrido[2,1-i]indol-6-one?
The canonical SMILES for 1,2,3,4,7,7a,8,9,10,11-decahydropyrido[2,1-i]indol-6-one is O=C1CC2CCCCC23CCCCN13.
What is the InChIKey of 1,2,3,4,7,7a,8,9,10,11-decahydropyrido[2,1-i]indol-6-one?
The InChIKey is XEWAGBQWGMBTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c14-11-9-10-5-1-2-6-12(10)7-3-4-8-13(11)12/h10H,1-9H2.
What are the key properties of 1,2,3,4,7,7a,8,9,10,11-decahydropyrido[2,1-i]indol-6-one?
1,2,3,4,7,7a,8,9,10,11-decahydropyrido[2,1-i]indol-6-one has a molecular weight of 193.29 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,7,7a,8,9,10,11-decahydropyrido[2,1-i]indol-6-one is sourced from PubChem (CID 85106790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).