1H-indole;3-methylbutan-1-ol

C13H19NO — CID 159916178

IUPAC1H-indole;3-methylbutan-1-ol
SMILESCC(C)CCO.c1ccc2[nH]ccc2c1
InChIInChI=1S/C8H7N.C5H12O/c1-2-4-8-7(3-1)5-6-9-8;1-5(2)3-4-6/h1-6,9H;5-6H,3-4H2,1-2H3
InChIKeyNXURPCOCTJQARN-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.19
Rot. Bonds2

About 1H-indole;3-methylbutan-1-ol

1H-indole;3-methylbutan-1-ol (PubChem CID 159916178) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1H-indole;3-methylbutan-1-ol.

Molecular Properties

Compound Name1H-indole;3-methylbutan-1-ol
PubChem CID159916178
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1H-indole;3-methylbutan-1-ol
SMILESCC(C)CCO.c1ccc2[nH]ccc2c1
InChIInChI=1S/C8H7N.C5H12O/c1-2-4-8-7(3-1)5-6-9-8;1-5(2)3-4-6/h1-6,9H;5-6H,3-4H2,1-2H3
InChIKeyNXURPCOCTJQARN-UHFFFAOYSA-N
XLogP3.19
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1H-indole;3-methylbutan-1-ol?
The IUPAC name of 1H-indole;3-methylbutan-1-ol (CID 159916178) is 1H-indole;3-methylbutan-1-ol.
What is the SMILES notation for 1H-indole;3-methylbutan-1-ol?
The canonical SMILES for 1H-indole;3-methylbutan-1-ol is CC(C)CCO.c1ccc2[nH]ccc2c1.
What is the InChIKey of 1H-indole;3-methylbutan-1-ol?
The InChIKey is NXURPCOCTJQARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.C5H12O/c1-2-4-8-7(3-1)5-6-9-8;1-5(2)3-4-6/h1-6,9H;5-6H,3-4H2,1-2H3.
What are the key properties of 1H-indole;3-methylbutan-1-ol?
1H-indole;3-methylbutan-1-ol has a molecular weight of 205.30 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indole;3-methylbutan-1-ol is sourced from PubChem (CID 159916178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).