1-quinolin-2-ylprop-2-en-1-ol

C12H11NO — CID 65416491

IUPAC1-quinolin-2-ylprop-2-en-1-ol
SMILESC=CC(O)c1ccc2ccccc2n1
InChIInChI=1S/C12H11NO/c1-2-12(14)11-8-7-9-5-3-4-6-10(9)13-11/h2-8,12,14H,1H2
InChIKeyWZACAVYNUCBGLA-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.45
Rot. Bonds2

About 1-quinolin-2-ylprop-2-en-1-ol

1-quinolin-2-ylprop-2-en-1-ol (PubChem CID 65416491) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 1-quinolin-2-ylprop-2-en-1-ol.

Molecular Properties

Compound Name1-quinolin-2-ylprop-2-en-1-ol
PubChem CID65416491
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name1-quinolin-2-ylprop-2-en-1-ol
SMILESC=CC(O)c1ccc2ccccc2n1
InChIInChI=1S/C12H11NO/c1-2-12(14)11-8-7-9-5-3-4-6-10(9)13-11/h2-8,12,14H,1H2
InChIKeyWZACAVYNUCBGLA-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

amino(quinolin-2-yl)methanol
CID 154237779
1-(1,8-naphthyridin-2-yl)prop-2-en-1-ol
CID 66614409
(1S)-2-amino-1-quinolin-2-ylethanol
CID 96808696
methane;2-propan-2-ylquinoline
CID 161334581
ethane;2-propan-2-ylquinoline
CID 142538504
1-quinolin-2-ylbut-3-enylhydrazine
CID 105218718
2-[(1R)-1-fluoroethyl]quinoline
CID 146161668
2-(1-chloroethyl)quinoline
CID 14750485
4-amino-1-quinolin-2-ylbutane-1,2-diol
CID 171881473
(2-methylphenyl)-quinolin-2-ylmethanol
CID 63222841
4-[(4-hydroxyphenyl)-quinolin-2-ylmethyl]phenol
CID 3084303
N-prop-2-enyl-2-quinolin-2-ylpropanethioamide
CID 88842883

Frequently Asked Questions

What is the IUPAC name of 1-quinolin-2-ylprop-2-en-1-ol?
The IUPAC name of 1-quinolin-2-ylprop-2-en-1-ol (CID 65416491) is 1-quinolin-2-ylprop-2-en-1-ol.
What is the SMILES notation for 1-quinolin-2-ylprop-2-en-1-ol?
The canonical SMILES for 1-quinolin-2-ylprop-2-en-1-ol is C=CC(O)c1ccc2ccccc2n1.
What is the InChIKey of 1-quinolin-2-ylprop-2-en-1-ol?
The InChIKey is WZACAVYNUCBGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c1-2-12(14)11-8-7-9-5-3-4-6-10(9)13-11/h2-8,12,14H,1H2.
What are the key properties of 1-quinolin-2-ylprop-2-en-1-ol?
1-quinolin-2-ylprop-2-en-1-ol has a molecular weight of 185.23 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-2-ylprop-2-en-1-ol is sourced from PubChem (CID 65416491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).