1-methyl-3a,7a-dihydroindol-5-ol

C9H11NO — CID 146475749

IUPAC1-methyl-3a,7a-dihydroindol-5-ol
SMILESCN1C=CC2C=C(O)C=CC21
InChIInChI=1S/C9H11NO/c1-10-5-4-7-6-8(11)2-3-9(7)10/h2-7,9,11H,1H3
InChIKeyGIYGIBLMDTZBME-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.44
Rot. Bonds

About 1-methyl-3a,7a-dihydroindol-5-ol

1-methyl-3a,7a-dihydroindol-5-ol (PubChem CID 146475749) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 1-methyl-3a,7a-dihydroindol-5-ol.

Molecular Properties

Compound Name1-methyl-3a,7a-dihydroindol-5-ol
PubChem CID146475749
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name1-methyl-3a,7a-dihydroindol-5-ol
SMILESCN1C=CC2C=C(O)C=CC21
InChIInChI=1S/C9H11NO/c1-10-5-4-7-6-8(11)2-3-9(7)10/h2-7,9,11H,1H3
InChIKeyGIYGIBLMDTZBME-UHFFFAOYSA-N
XLogP1.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3a,7a-dihydroindol-5-ol?
The IUPAC name of 1-methyl-3a,7a-dihydroindol-5-ol (CID 146475749) is 1-methyl-3a,7a-dihydroindol-5-ol.
What is the SMILES notation for 1-methyl-3a,7a-dihydroindol-5-ol?
The canonical SMILES for 1-methyl-3a,7a-dihydroindol-5-ol is CN1C=CC2C=C(O)C=CC21.
What is the InChIKey of 1-methyl-3a,7a-dihydroindol-5-ol?
The InChIKey is GIYGIBLMDTZBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-10-5-4-7-6-8(11)2-3-9(7)10/h2-7,9,11H,1H3.
What are the key properties of 1-methyl-3a,7a-dihydroindol-5-ol?
1-methyl-3a,7a-dihydroindol-5-ol has a molecular weight of 149.19 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3a,7a-dihydroindol-5-ol is sourced from PubChem (CID 146475749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).