(3aR,7R,7aS)-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole

C9H17N — CID 124603442

IUPAC(3aR,7R,7aS)-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
SMILESC[C@@H]1CCC[C@@H]2CCN[C@H]21
InChIInChI=1S/C9H17N/c1-7-3-2-4-8-5-6-10-9(7)8/h7-10H,2-6H2,1H3/t7-,8-,9+/m1/s1
InChIKeyJBDSRAWHIAVMMV-HLTSFMKQSA-N
MW139.24 g/mol
LogP1.78
Rot. Bonds

About (3aR,7R,7aS)-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole

(3aR,7R,7aS)-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole (PubChem CID 124603442) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (3aR,7R,7aS)-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole.

Molecular Properties

Compound Name(3aR,7R,7aS)-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
PubChem CID124603442
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(3aR,7R,7aS)-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
SMILESC[C@@H]1CCC[C@@H]2CCN[C@H]21
InChIInChI=1S/C9H17N/c1-7-3-2-4-8-5-6-10-9(7)8/h7-10H,2-6H2,1H3/t7-,8-,9+/m1/s1
InChIKeyJBDSRAWHIAVMMV-HLTSFMKQSA-N
XLogP1.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3aR,7R,7aS)-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole with MolForge

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Related Compounds

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2-cyclobutyl-3-fluoropyrrolidine
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8-(2,3,4,5-tetramethylcyclopentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 162503082
6,8-dimethyl-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine
CID 83905689
3-methyl-2-piperidin-2-ylpiperidine
CID 121218618
2-cyclobutylpiperidin-3-ol
CID 115012112
4-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-8-ol
CID 131131730
CID 134889664
CID 134889664
18-[5-(2-azabicyclo[8.7.0]heptadecan-17-yl)cyclooctyl]-2-azabicyclo[8.8.0]octadecane
CID 137398080
ethane;trans-(1R,2R)-1,2-dimethylcyclopentane
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CID 146602825

Frequently Asked Questions

What is the IUPAC name of (3aR,7R,7aS)-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole?
The IUPAC name of (3aR,7R,7aS)-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole (CID 124603442) is (3aR,7R,7aS)-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole.
What is the SMILES notation for (3aR,7R,7aS)-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole?
The canonical SMILES for (3aR,7R,7aS)-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole is C[C@@H]1CCC[C@@H]2CCN[C@H]21.
What is the InChIKey of (3aR,7R,7aS)-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole?
The InChIKey is JBDSRAWHIAVMMV-HLTSFMKQSA-N. The full InChI is InChI=1S/C9H17N/c1-7-3-2-4-8-5-6-10-9(7)8/h7-10H,2-6H2,1H3/t7-,8-,9+/m1/s1.
What are the key properties of (3aR,7R,7aS)-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole?
(3aR,7R,7aS)-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole has a molecular weight of 139.24 g/mol, XLogP of 1.78, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7R,7aS)-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole is sourced from PubChem (CID 124603442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).