3-(1,2,3,4-tetrahydroisoquinolin-7-yl)prop-2-en-1-ol

C12H15NO — CID 169453485

IUPAC3-(1,2,3,4-tetrahydroisoquinolin-7-yl)prop-2-en-1-ol
SMILESOCC=Cc1ccc2c(c1)CNCC2
InChIInChI=1S/C12H15NO/c14-7-1-2-10-3-4-11-5-6-13-9-12(11)8-10/h1-4,8,13-14H,5-7,9H2
InChIKeyCGHOVQSGSXPTFA-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.34
Rot. Bonds2

About 3-(1,2,3,4-tetrahydroisoquinolin-7-yl)prop-2-en-1-ol

3-(1,2,3,4-tetrahydroisoquinolin-7-yl)prop-2-en-1-ol (PubChem CID 169453485) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-(1,2,3,4-tetrahydroisoquinolin-7-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name3-(1,2,3,4-tetrahydroisoquinolin-7-yl)prop-2-en-1-ol
PubChem CID169453485
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name3-(1,2,3,4-tetrahydroisoquinolin-7-yl)prop-2-en-1-ol
SMILESOCC=Cc1ccc2c(c1)CNCC2
InChIInChI=1S/C12H15NO/c14-7-1-2-10-3-4-11-5-6-13-9-12(11)8-10/h1-4,8,13-14H,5-7,9H2
InChIKeyCGHOVQSGSXPTFA-UHFFFAOYSA-N
XLogP1.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,4-tetrahydroisoquinolin-7-yl)prop-2-en-1-ol?
The IUPAC name of 3-(1,2,3,4-tetrahydroisoquinolin-7-yl)prop-2-en-1-ol (CID 169453485) is 3-(1,2,3,4-tetrahydroisoquinolin-7-yl)prop-2-en-1-ol.
What is the SMILES notation for 3-(1,2,3,4-tetrahydroisoquinolin-7-yl)prop-2-en-1-ol?
The canonical SMILES for 3-(1,2,3,4-tetrahydroisoquinolin-7-yl)prop-2-en-1-ol is OCC=Cc1ccc2c(c1)CNCC2.
What is the InChIKey of 3-(1,2,3,4-tetrahydroisoquinolin-7-yl)prop-2-en-1-ol?
The InChIKey is CGHOVQSGSXPTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c14-7-1-2-10-3-4-11-5-6-13-9-12(11)8-10/h1-4,8,13-14H,5-7,9H2.
What are the key properties of 3-(1,2,3,4-tetrahydroisoquinolin-7-yl)prop-2-en-1-ol?
3-(1,2,3,4-tetrahydroisoquinolin-7-yl)prop-2-en-1-ol has a molecular weight of 189.26 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,4-tetrahydroisoquinolin-7-yl)prop-2-en-1-ol is sourced from PubChem (CID 169453485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).