(2,3,3-trimethyl-1,2,6,7-tetrahydroindol-6-yl)methanol

C12H19NO — CID 89133248

IUPAC(2,3,3-trimethyl-1,2,6,7-tetrahydroindol-6-yl)methanol
SMILESCC1NC2=C(C=CC(CO)C2)C1(C)C
InChIInChI=1S/C12H19NO/c1-8-12(2,3)10-5-4-9(7-14)6-11(10)13-8/h4-5,8-9,13-14H,6-7H2,1-3H3
InChIKeyKPXJNJAPEQAQHE-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.83
Rot. Bonds1

About (2,3,3-trimethyl-1,2,6,7-tetrahydroindol-6-yl)methanol

(2,3,3-trimethyl-1,2,6,7-tetrahydroindol-6-yl)methanol (PubChem CID 89133248) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (2,3,3-trimethyl-1,2,6,7-tetrahydroindol-6-yl)methanol.

Molecular Properties

Compound Name(2,3,3-trimethyl-1,2,6,7-tetrahydroindol-6-yl)methanol
PubChem CID89133248
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(2,3,3-trimethyl-1,2,6,7-tetrahydroindol-6-yl)methanol
SMILESCC1NC2=C(C=CC(CO)C2)C1(C)C
InChIInChI=1S/C12H19NO/c1-8-12(2,3)10-5-4-9(7-14)6-11(10)13-8/h4-5,8-9,13-14H,6-7H2,1-3H3
InChIKeyKPXJNJAPEQAQHE-UHFFFAOYSA-N
XLogP1.83
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,3,3-trimethyl-1,2,6,7-tetrahydroindol-6-yl)methanol?
The IUPAC name of (2,3,3-trimethyl-1,2,6,7-tetrahydroindol-6-yl)methanol (CID 89133248) is (2,3,3-trimethyl-1,2,6,7-tetrahydroindol-6-yl)methanol.
What is the SMILES notation for (2,3,3-trimethyl-1,2,6,7-tetrahydroindol-6-yl)methanol?
The canonical SMILES for (2,3,3-trimethyl-1,2,6,7-tetrahydroindol-6-yl)methanol is CC1NC2=C(C=CC(CO)C2)C1(C)C.
What is the InChIKey of (2,3,3-trimethyl-1,2,6,7-tetrahydroindol-6-yl)methanol?
The InChIKey is KPXJNJAPEQAQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-8-12(2,3)10-5-4-9(7-14)6-11(10)13-8/h4-5,8-9,13-14H,6-7H2,1-3H3.
What are the key properties of (2,3,3-trimethyl-1,2,6,7-tetrahydroindol-6-yl)methanol?
(2,3,3-trimethyl-1,2,6,7-tetrahydroindol-6-yl)methanol has a molecular weight of 193.29 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,3-trimethyl-1,2,6,7-tetrahydroindol-6-yl)methanol is sourced from PubChem (CID 89133248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).