(3R,3aR,7aS)-3-methyl-1,3,3a,4,5,6,7,7a-octahydroindol-2-one

C9H15NO — CID 131041871

IUPAC(3R,3aR,7aS)-3-methyl-1,3,3a,4,5,6,7,7a-octahydroindol-2-one
SMILESC[C@H]1C(=O)N[C@H]2CCCC[C@@H]21
InChIInChI=1S/C9H15NO/c1-6-7-4-2-3-5-8(7)10-9(6)11/h6-8H,2-5H2,1H3,(H,10,11)/t6-,7-,8+/m1/s1
InChIKeyMJLAOVZVESNDMT-PRJMDXOYSA-N
MW153.22 g/mol
LogP1.31
Rot. Bonds

About (3R,3aR,7aS)-3-methyl-1,3,3a,4,5,6,7,7a-octahydroindol-2-one

(3R,3aR,7aS)-3-methyl-1,3,3a,4,5,6,7,7a-octahydroindol-2-one (PubChem CID 131041871) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (3R,3aR,7aS)-3-methyl-1,3,3a,4,5,6,7,7a-octahydroindol-2-one.

Molecular Properties

Compound Name(3R,3aR,7aS)-3-methyl-1,3,3a,4,5,6,7,7a-octahydroindol-2-one
PubChem CID131041871
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(3R,3aR,7aS)-3-methyl-1,3,3a,4,5,6,7,7a-octahydroindol-2-one
SMILESC[C@H]1C(=O)N[C@H]2CCCC[C@@H]21
InChIInChI=1S/C9H15NO/c1-6-7-4-2-3-5-8(7)10-9(6)11/h6-8H,2-5H2,1H3,(H,10,11)/t6-,7-,8+/m1/s1
InChIKeyMJLAOVZVESNDMT-PRJMDXOYSA-N
XLogP1.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3R,3aR,7aS)-3-methyl-1,3,3a,4,5,6,7,7a-octahydroindol-2-one with MolForge

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Related Compounds

3-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroindol-2-one
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(1R,4R,9R,12R,17R,20R)-2,10,18-triazatetracyclo[18.4.0.04,9.012,17]tetracosane-3,11,19-trione
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9-methylbicyclo[5.2.0]nonan-8-one
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(4aS,9R,9aS)-9-methyl-1,2,3,4,4a,9,9a,10-octahydroacridine
CID 129413587
(11S)-11-methyl-9,12-diazabicyclo[6.5.0]tridecane-10,13-dione
CID 101377557
(1R,2R,6R,9R)-7-azatricyclo[4.3.0.02,9]nonan-8-one
CID 98512573
(12R)-13-azabicyclo[10.2.0]tetradecan-14-one
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CID 92860709
(3S,5aS,9aS)-3-methyl-1,5,5a,6,7,8,9,9a-octahydrobenzo[e][1,4]oxazepin-2-one
CID 131086035
6-azabicyclo[3.2.0]heptan-7-one
CID 549320
6,12-dimethyl-1,2,3,4,4a,6,6a,7,8,9,10,10a,12,12a-tetradecahydroindeno[1,2-b]fluorene
CID 155763587

Frequently Asked Questions

What is the IUPAC name of (3R,3aR,7aS)-3-methyl-1,3,3a,4,5,6,7,7a-octahydroindol-2-one?
The IUPAC name of (3R,3aR,7aS)-3-methyl-1,3,3a,4,5,6,7,7a-octahydroindol-2-one (CID 131041871) is (3R,3aR,7aS)-3-methyl-1,3,3a,4,5,6,7,7a-octahydroindol-2-one.
What is the SMILES notation for (3R,3aR,7aS)-3-methyl-1,3,3a,4,5,6,7,7a-octahydroindol-2-one?
The canonical SMILES for (3R,3aR,7aS)-3-methyl-1,3,3a,4,5,6,7,7a-octahydroindol-2-one is C[C@H]1C(=O)N[C@H]2CCCC[C@@H]21.
What is the InChIKey of (3R,3aR,7aS)-3-methyl-1,3,3a,4,5,6,7,7a-octahydroindol-2-one?
The InChIKey is MJLAOVZVESNDMT-PRJMDXOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-6-7-4-2-3-5-8(7)10-9(6)11/h6-8H,2-5H2,1H3,(H,10,11)/t6-,7-,8+/m1/s1.
What are the key properties of (3R,3aR,7aS)-3-methyl-1,3,3a,4,5,6,7,7a-octahydroindol-2-one?
(3R,3aR,7aS)-3-methyl-1,3,3a,4,5,6,7,7a-octahydroindol-2-one has a molecular weight of 153.22 g/mol, XLogP of 1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aR,7aS)-3-methyl-1,3,3a,4,5,6,7,7a-octahydroindol-2-one is sourced from PubChem (CID 131041871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).