3-(3-cyanoprop-1-enyl)-4-hydroxybenzoic acid

C11H9NO3 — CID 170800016

IUPAC3-(3-cyanoprop-1-enyl)-4-hydroxybenzoic acid
SMILESN#CCC=Cc1cc(C(=O)O)ccc1O
InChIInChI=1S/C11H9NO3/c12-6-2-1-3-8-7-9(11(14)15)4-5-10(8)13/h1,3-5,7,13H,2H2,(H,14,15)
InChIKeyZKGAQIANOKCHLH-UHFFFAOYSA-N
MW203.20 g/mol
LogP2.02
Rot. Bonds3

About 3-(3-cyanoprop-1-enyl)-4-hydroxybenzoic acid

3-(3-cyanoprop-1-enyl)-4-hydroxybenzoic acid (PubChem CID 170800016) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 3-(3-cyanoprop-1-enyl)-4-hydroxybenzoic acid.

Molecular Properties

Compound Name3-(3-cyanoprop-1-enyl)-4-hydroxybenzoic acid
PubChem CID170800016
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name3-(3-cyanoprop-1-enyl)-4-hydroxybenzoic acid
SMILESN#CCC=Cc1cc(C(=O)O)ccc1O
InChIInChI=1S/C11H9NO3/c12-6-2-1-3-8-7-9(11(14)15)4-5-10(8)13/h1,3-5,7,13H,2H2,(H,14,15)
InChIKeyZKGAQIANOKCHLH-UHFFFAOYSA-N
XLogP2.02
TPSA81.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromobut-1-enyl)-4-hydroxybenzoic acid
CID 170497766
4-(2-hydroxy-5-methoxyphenyl)but-3-enenitrile
CID 170799520
3-(3-azidoprop-1-enyl)-4-hydroxybenzoic acid
CID 169462044
6-amino-5-(3-cyanoprop-1-enyl)pyridine-3-carboxylic acid
CID 170800033
2-(3-cyanoprop-1-enyl)pyridine-4-carboxylic acid
CID 170799749
6-(3-cyanoprop-1-enyl)pyridine-3-carboxylic acid
CID 170799751
2-(3-cyanoprop-1-enyl)-4-methylbenzoic acid
CID 170799967
3-amino-5-(3-cyanoprop-1-enyl)benzoic acid
CID 170800124
methyl 4-(3-cyanoprop-1-enyl)-3-methylbenzoate
CID 170800226
4-(3-cyanoprop-1-enyl)benzamide
CID 170799783
methyl 4-(3-cyanoprop-1-enyl)-3-methoxybenzoate
CID 170800542
3-(3-hydroxyprop-1-enyl)-4-methoxybenzoic acid
CID 169453813

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyanoprop-1-enyl)-4-hydroxybenzoic acid?
The IUPAC name of 3-(3-cyanoprop-1-enyl)-4-hydroxybenzoic acid (CID 170800016) is 3-(3-cyanoprop-1-enyl)-4-hydroxybenzoic acid.
What is the SMILES notation for 3-(3-cyanoprop-1-enyl)-4-hydroxybenzoic acid?
The canonical SMILES for 3-(3-cyanoprop-1-enyl)-4-hydroxybenzoic acid is N#CCC=Cc1cc(C(=O)O)ccc1O.
What is the InChIKey of 3-(3-cyanoprop-1-enyl)-4-hydroxybenzoic acid?
The InChIKey is ZKGAQIANOKCHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c12-6-2-1-3-8-7-9(11(14)15)4-5-10(8)13/h1,3-5,7,13H,2H2,(H,14,15).
What are the key properties of 3-(3-cyanoprop-1-enyl)-4-hydroxybenzoic acid?
3-(3-cyanoprop-1-enyl)-4-hydroxybenzoic acid has a molecular weight of 203.20 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyanoprop-1-enyl)-4-hydroxybenzoic acid is sourced from PubChem (CID 170800016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).