1-methyl-4-propan-2-yl-2,3,7,7a-tetrahydroindol-6-ol

C12H19NO — CID 167075157

IUPAC1-methyl-4-propan-2-yl-2,3,7,7a-tetrahydroindol-6-ol
SMILESCC(C)C1=C2CCN(C)C2CC(O)=C1
InChIInChI=1S/C12H19NO/c1-8(2)11-6-9(14)7-12-10(11)4-5-13(12)3/h6,8,12,14H,4-5,7H2,1-3H3
InChIKeyVJJVVCHUKSZGRO-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.49
Rot. Bonds1

About 1-methyl-4-propan-2-yl-2,3,7,7a-tetrahydroindol-6-ol

1-methyl-4-propan-2-yl-2,3,7,7a-tetrahydroindol-6-ol (PubChem CID 167075157) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-methyl-4-propan-2-yl-2,3,7,7a-tetrahydroindol-6-ol.

Molecular Properties

Compound Name1-methyl-4-propan-2-yl-2,3,7,7a-tetrahydroindol-6-ol
PubChem CID167075157
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-methyl-4-propan-2-yl-2,3,7,7a-tetrahydroindol-6-ol
SMILESCC(C)C1=C2CCN(C)C2CC(O)=C1
InChIInChI=1S/C12H19NO/c1-8(2)11-6-9(14)7-12-10(11)4-5-13(12)3/h6,8,12,14H,4-5,7H2,1-3H3
InChIKeyVJJVVCHUKSZGRO-UHFFFAOYSA-N
XLogP2.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propan-2-yl-2,3,7,7a-tetrahydroindol-6-ol?
The IUPAC name of 1-methyl-4-propan-2-yl-2,3,7,7a-tetrahydroindol-6-ol (CID 167075157) is 1-methyl-4-propan-2-yl-2,3,7,7a-tetrahydroindol-6-ol.
What is the SMILES notation for 1-methyl-4-propan-2-yl-2,3,7,7a-tetrahydroindol-6-ol?
The canonical SMILES for 1-methyl-4-propan-2-yl-2,3,7,7a-tetrahydroindol-6-ol is CC(C)C1=C2CCN(C)C2CC(O)=C1.
What is the InChIKey of 1-methyl-4-propan-2-yl-2,3,7,7a-tetrahydroindol-6-ol?
The InChIKey is VJJVVCHUKSZGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-8(2)11-6-9(14)7-12-10(11)4-5-13(12)3/h6,8,12,14H,4-5,7H2,1-3H3.
What are the key properties of 1-methyl-4-propan-2-yl-2,3,7,7a-tetrahydroindol-6-ol?
1-methyl-4-propan-2-yl-2,3,7,7a-tetrahydroindol-6-ol has a molecular weight of 193.29 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propan-2-yl-2,3,7,7a-tetrahydroindol-6-ol is sourced from PubChem (CID 167075157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).