3-isoquinolin-6-ylprop-2-en-1-ol

C12H11NO — CID 169453481

IUPAC3-isoquinolin-6-ylprop-2-en-1-ol
SMILESOCC=Cc1ccc2cnccc2c1
InChIInChI=1S/C12H11NO/c14-7-1-2-10-3-4-12-9-13-6-5-11(12)8-10/h1-6,8-9,14H,7H2
InChIKeyJHPRDYDYBYNSQN-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.24
Rot. Bonds2

About 3-isoquinolin-6-ylprop-2-en-1-ol

3-isoquinolin-6-ylprop-2-en-1-ol (PubChem CID 169453481) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 3-isoquinolin-6-ylprop-2-en-1-ol.

Molecular Properties

Compound Name3-isoquinolin-6-ylprop-2-en-1-ol
PubChem CID169453481
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name3-isoquinolin-6-ylprop-2-en-1-ol
SMILESOCC=Cc1ccc2cnccc2c1
InChIInChI=1S/C12H11NO/c14-7-1-2-10-3-4-12-9-13-6-5-11(12)8-10/h1-6,8-9,14H,7H2
InChIKeyJHPRDYDYBYNSQN-UHFFFAOYSA-N
XLogP2.24
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-isoquinolin-6-ylbut-3-enenitrile
CID 170799874
(E)-3-isoquinolin-7-ylprop-2-en-1-amine
CID 117279909
ethyl 4-isoquinolin-6-ylbut-3-enoate
CID 170796328
(E)-3-isoquinolin-6-ylprop-2-enoic acid
CID 82580093
(Z)-3-pyridin-4-ylprop-2-en-1-ol
CID 45079749
deuterio(isoquinolin-6-yl)methanone
CID 154715410
9H-fluoren-9-ylmethyl N-(3-isoquinolin-6-ylprop-2-enyl)carbamate
CID 169469747
(E)-3-isoquinolin-6-yl-1-(4-methylsulfanylphenyl)prop-2-en-1-one;hydrochloride
CID 166234448
(E)-3-pyrazin-2-ylprop-2-en-1-ol
CID 162376500
(E)-3-(3,4-dimethylphenyl)prop-2-en-1-ol
CID 21017863
3-[4-(hydroxymethyl)-3-methylphenyl]prop-2-en-1-ol
CID 169453245
4-naphthalen-2-ylbut-3-en-1-ol
CID 54291326

Frequently Asked Questions

What is the IUPAC name of 3-isoquinolin-6-ylprop-2-en-1-ol?
The IUPAC name of 3-isoquinolin-6-ylprop-2-en-1-ol (CID 169453481) is 3-isoquinolin-6-ylprop-2-en-1-ol.
What is the SMILES notation for 3-isoquinolin-6-ylprop-2-en-1-ol?
The canonical SMILES for 3-isoquinolin-6-ylprop-2-en-1-ol is OCC=Cc1ccc2cnccc2c1.
What is the InChIKey of 3-isoquinolin-6-ylprop-2-en-1-ol?
The InChIKey is JHPRDYDYBYNSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c14-7-1-2-10-3-4-12-9-13-6-5-11(12)8-10/h1-6,8-9,14H,7H2.
What are the key properties of 3-isoquinolin-6-ylprop-2-en-1-ol?
3-isoquinolin-6-ylprop-2-en-1-ol has a molecular weight of 185.23 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isoquinolin-6-ylprop-2-en-1-ol is sourced from PubChem (CID 169453481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).