2-propan-2-yl-1,7,8,8a-tetrahydroquinolin-3-ol

C12H17NO — CID 122544436

IUPAC2-propan-2-yl-1,7,8,8a-tetrahydroquinolin-3-ol
SMILESCC(C)C1=C(O)C=C2C=CCCC2N1
InChIInChI=1S/C12H17NO/c1-8(2)12-11(14)7-9-5-3-4-6-10(9)13-12/h3,5,7-8,10,13-14H,4,6H2,1-2H3
InChIKeyFLTDXUGAHFHQPX-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.66
Rot. Bonds1

About 2-propan-2-yl-1,7,8,8a-tetrahydroquinolin-3-ol

2-propan-2-yl-1,7,8,8a-tetrahydroquinolin-3-ol (PubChem CID 122544436) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-propan-2-yl-1,7,8,8a-tetrahydroquinolin-3-ol.

Molecular Properties

Compound Name2-propan-2-yl-1,7,8,8a-tetrahydroquinolin-3-ol
PubChem CID122544436
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-propan-2-yl-1,7,8,8a-tetrahydroquinolin-3-ol
SMILESCC(C)C1=C(O)C=C2C=CCCC2N1
InChIInChI=1S/C12H17NO/c1-8(2)12-11(14)7-9-5-3-4-6-10(9)13-12/h3,5,7-8,10,13-14H,4,6H2,1-2H3
InChIKeyFLTDXUGAHFHQPX-UHFFFAOYSA-N
XLogP2.66
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1,7,8,8a-tetrahydroquinolin-3-ol?
The IUPAC name of 2-propan-2-yl-1,7,8,8a-tetrahydroquinolin-3-ol (CID 122544436) is 2-propan-2-yl-1,7,8,8a-tetrahydroquinolin-3-ol.
What is the SMILES notation for 2-propan-2-yl-1,7,8,8a-tetrahydroquinolin-3-ol?
The canonical SMILES for 2-propan-2-yl-1,7,8,8a-tetrahydroquinolin-3-ol is CC(C)C1=C(O)C=C2C=CCCC2N1.
What is the InChIKey of 2-propan-2-yl-1,7,8,8a-tetrahydroquinolin-3-ol?
The InChIKey is FLTDXUGAHFHQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-8(2)12-11(14)7-9-5-3-4-6-10(9)13-12/h3,5,7-8,10,13-14H,4,6H2,1-2H3.
What are the key properties of 2-propan-2-yl-1,7,8,8a-tetrahydroquinolin-3-ol?
2-propan-2-yl-1,7,8,8a-tetrahydroquinolin-3-ol has a molecular weight of 191.27 g/mol, XLogP of 2.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1,7,8,8a-tetrahydroquinolin-3-ol is sourced from PubChem (CID 122544436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).