5-methyl-3a,7a-dihydro-1H-indol-4-ol

C9H11NO — CID 163536934

IUPAC5-methyl-3a,7a-dihydro-1H-indol-4-ol
SMILESCC1=C(O)C2C=CNC2C=C1
InChIInChI=1S/C9H11NO/c1-6-2-3-8-7(9(6)11)4-5-10-8/h2-5,7-8,10-11H,1H3
InChIKeyNZZRSYWVURMCHT-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.49
Rot. Bonds

About 5-methyl-3a,7a-dihydro-1H-indol-4-ol

5-methyl-3a,7a-dihydro-1H-indol-4-ol (PubChem CID 163536934) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 5-methyl-3a,7a-dihydro-1H-indol-4-ol.

Molecular Properties

Compound Name5-methyl-3a,7a-dihydro-1H-indol-4-ol
PubChem CID163536934
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name5-methyl-3a,7a-dihydro-1H-indol-4-ol
SMILESCC1=C(O)C2C=CNC2C=C1
InChIInChI=1S/C9H11NO/c1-6-2-3-8-7(9(6)11)4-5-10-8/h2-5,7-8,10-11H,1H3
InChIKeyNZZRSYWVURMCHT-UHFFFAOYSA-N
XLogP1.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethyl-6-methylidene-2,3-dihydro-1H-pyridin-4-ol
CID 54370048
5-ethyl-3a,7a-dihydro-1H-indol-6-ol
CID 68345621
5-ethyl-3a,7a-dihydro-1H-indol-7-ol
CID 68345622
5-methyl-3-[(E,4S)-4-methylhex-2-en-2-yl]oxy-3a,7a-dihydro-1H-indole
CID 71043782
5-tert-butyl-3a,7a-dihydro-1H-indol-6-ol
CID 89199090
5-methyl-3a,7a-dihydro-1H-indol-7-ol
CID 143778533
5-methyl-3a,7a-dihydro-1H-indol-6-ol;propane
CID 143778564
5-methyl-3a,7a-dihydro-1H-indol-6-ol
CID 143778565
5-methyl-3a,7a-dihydro-1H-indol-7-ol;propane
CID 143778580
3a,7a-dihydro-1H-indol-4-ol
CID 146475746
5-chloro-3a,7a-dihydro-1H-indol-4-ol
CID 146475825
5,6-dihydro-1H-indol-4-ol
CID 148622350

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3a,7a-dihydro-1H-indol-4-ol?
The IUPAC name of 5-methyl-3a,7a-dihydro-1H-indol-4-ol (CID 163536934) is 5-methyl-3a,7a-dihydro-1H-indol-4-ol.
What is the SMILES notation for 5-methyl-3a,7a-dihydro-1H-indol-4-ol?
The canonical SMILES for 5-methyl-3a,7a-dihydro-1H-indol-4-ol is CC1=C(O)C2C=CNC2C=C1.
What is the InChIKey of 5-methyl-3a,7a-dihydro-1H-indol-4-ol?
The InChIKey is NZZRSYWVURMCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-6-2-3-8-7(9(6)11)4-5-10-8/h2-5,7-8,10-11H,1H3.
What are the key properties of 5-methyl-3a,7a-dihydro-1H-indol-4-ol?
5-methyl-3a,7a-dihydro-1H-indol-4-ol has a molecular weight of 149.19 g/mol, XLogP of 1.49, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3a,7a-dihydro-1H-indol-4-ol is sourced from PubChem (CID 163536934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).