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

C9H11NO — CID 22603666

IUPAC2-methyl-3a,7a-dihydro-1H-indol-5-ol
SMILESCC1=CC2C=C(O)C=CC2N1
InChIInChI=1S/C9H11NO/c1-6-4-7-5-8(11)2-3-9(7)10-6/h2-5,7,9-11H,1H3
InChIKeyIONJOGSUJQWFGN-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.49
Rot. Bonds

About 2-methyl-3a,7a-dihydro-1H-indol-5-ol

2-methyl-3a,7a-dihydro-1H-indol-5-ol (PubChem CID 22603666) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 2-methyl-3a,7a-dihydro-1H-indol-5-ol.

Molecular Properties

Compound Name2-methyl-3a,7a-dihydro-1H-indol-5-ol
PubChem CID22603666
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name2-methyl-3a,7a-dihydro-1H-indol-5-ol
SMILESCC1=CC2C=C(O)C=CC2N1
InChIInChI=1S/C9H11NO/c1-6-4-7-5-8(11)2-3-9(7)10-6/h2-5,7,9-11H,1H3
InChIKeyIONJOGSUJQWFGN-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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3a,7a-dihydro-1H-indol-5-ol?
The IUPAC name of 2-methyl-3a,7a-dihydro-1H-indol-5-ol (CID 22603666) is 2-methyl-3a,7a-dihydro-1H-indol-5-ol.
What is the SMILES notation for 2-methyl-3a,7a-dihydro-1H-indol-5-ol?
The canonical SMILES for 2-methyl-3a,7a-dihydro-1H-indol-5-ol is CC1=CC2C=C(O)C=CC2N1.
What is the InChIKey of 2-methyl-3a,7a-dihydro-1H-indol-5-ol?
The InChIKey is IONJOGSUJQWFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-6-4-7-5-8(11)2-3-9(7)10-6/h2-5,7,9-11H,1H3.
What are the key properties of 2-methyl-3a,7a-dihydro-1H-indol-5-ol?
2-methyl-3a,7a-dihydro-1H-indol-5-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 2-methyl-3a,7a-dihydro-1H-indol-5-ol is sourced from PubChem (CID 22603666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).