(3aS,9bR)-1,3,3a,4,5,9b-hexahydrobenzo[g]indol-2-one

C12H13NO — CID 10997766

IUPAC(3aS,9bR)-1,3,3a,4,5,9b-hexahydrobenzo[g]indol-2-one
SMILESO=C1C[C@@H]2CCc3ccccc3[C@@H]2N1
InChIInChI=1S/C12H13NO/c14-11-7-9-6-5-8-3-1-2-4-10(8)12(9)13-11/h1-4,9,12H,5-7H2,(H,13,14)/t9-,12+/m0/s1
InChIKeyMTLODVAWONZTBL-JOYOIKCWSA-N
MW187.24 g/mol
LogP1.81
Rot. Bonds

About (3aS,9bR)-1,3,3a,4,5,9b-hexahydrobenzo[g]indol-2-one

(3aS,9bR)-1,3,3a,4,5,9b-hexahydrobenzo[g]indol-2-one (PubChem CID 10997766) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is (3aS,9bR)-1,3,3a,4,5,9b-hexahydrobenzo[g]indol-2-one.

Molecular Properties

Compound Name(3aS,9bR)-1,3,3a,4,5,9b-hexahydrobenzo[g]indol-2-one
PubChem CID10997766
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name(3aS,9bR)-1,3,3a,4,5,9b-hexahydrobenzo[g]indol-2-one
SMILESO=C1C[C@@H]2CCc3ccccc3[C@@H]2N1
InChIInChI=1S/C12H13NO/c14-11-7-9-6-5-8-3-1-2-4-10(8)12(9)13-11/h1-4,9,12H,5-7H2,(H,13,14)/t9-,12+/m0/s1
InChIKeyMTLODVAWONZTBL-JOYOIKCWSA-N
XLogP1.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,3,3a,4,5,9b-hexahydrocyclopenta[a]naphthalen-2-one
CID 19347400
(4aR,10bR)-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-3-one
CID 10750589
2,4,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-3-one
CID 19707357
(4aS,10aS)-3,4,4a,9,10,10a-hexahydro-1H-phenanthren-2-one
CID 141032918
6-fluoro-3,3a,4,8b-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one
CID 13368798
6-chloro-3,3a,4,8b-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one
CID 13368796
(5R)-5-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidin-2-one
CID 125488949
(5S)-5-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidin-2-one
CID 125488951
1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalene
CID 156649341
(2S,3S)-2-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 96607570
(3S)-3-(2,3-dihydro-1H-inden-1-ylmethylamino)piperidine-2,6-dione
CID 154967466
1,3,3a,8b-tetrahydroindeno[1,2-b]pyrrole-2,4-dione
CID 132988443

Frequently Asked Questions

What is the IUPAC name of (3aS,9bR)-1,3,3a,4,5,9b-hexahydrobenzo[g]indol-2-one?
The IUPAC name of (3aS,9bR)-1,3,3a,4,5,9b-hexahydrobenzo[g]indol-2-one (CID 10997766) is (3aS,9bR)-1,3,3a,4,5,9b-hexahydrobenzo[g]indol-2-one.
What is the SMILES notation for (3aS,9bR)-1,3,3a,4,5,9b-hexahydrobenzo[g]indol-2-one?
The canonical SMILES for (3aS,9bR)-1,3,3a,4,5,9b-hexahydrobenzo[g]indol-2-one is O=C1C[C@@H]2CCc3ccccc3[C@@H]2N1.
What is the InChIKey of (3aS,9bR)-1,3,3a,4,5,9b-hexahydrobenzo[g]indol-2-one?
The InChIKey is MTLODVAWONZTBL-JOYOIKCWSA-N. The full InChI is InChI=1S/C12H13NO/c14-11-7-9-6-5-8-3-1-2-4-10(8)12(9)13-11/h1-4,9,12H,5-7H2,(H,13,14)/t9-,12+/m0/s1.
What are the key properties of (3aS,9bR)-1,3,3a,4,5,9b-hexahydrobenzo[g]indol-2-one?
(3aS,9bR)-1,3,3a,4,5,9b-hexahydrobenzo[g]indol-2-one has a molecular weight of 187.24 g/mol, XLogP of 1.81, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,9bR)-1,3,3a,4,5,9b-hexahydrobenzo[g]indol-2-one is sourced from PubChem (CID 10997766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).