4-(4-aminobut-1-enyl)benzene-1,3-diol

C10H13NO2 — CID 170486543

IUPAC4-(4-aminobut-1-enyl)benzene-1,3-diol
SMILESNCCC=Cc1ccc(O)cc1O
InChIInChI=1S/C10H13NO2/c11-6-2-1-3-8-4-5-9(12)7-10(8)13/h1,3-5,7,12-13H,2,6,11H2
InChIKeyFBLICESWFWAYFT-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.46
Rot. Bonds3

About 4-(4-aminobut-1-enyl)benzene-1,3-diol

4-(4-aminobut-1-enyl)benzene-1,3-diol (PubChem CID 170486543) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 4-(4-aminobut-1-enyl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(4-aminobut-1-enyl)benzene-1,3-diol
PubChem CID170486543
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name4-(4-aminobut-1-enyl)benzene-1,3-diol
SMILESNCCC=Cc1ccc(O)cc1O
InChIInChI=1S/C10H13NO2/c11-6-2-1-3-8-4-5-9(12)7-10(8)13/h1,3-5,7,12-13H,2,6,11H2
InChIKeyFBLICESWFWAYFT-UHFFFAOYSA-N
XLogP1.46
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-aminobut-1-enyl)-4-methylphenol
CID 170486573
4-[(E)-3-hydroxyprop-1-enyl]benzene-1,3-diol
CID 18539716
4-(3-sulfanylprop-1-enyl)benzene-1,3-diol
CID 169454721
4-dec-1-enylbenzene-1,3-diol
CID 140936059
4-(4-aminobut-1-enyl)-2,3-difluorophenol
CID 170486884
4-(2,4-dihydroxyphenyl)but-3-enoic acid
CID 170483156
3-(4-aminobut-1-enyl)-4-hydroxybenzaldehyde
CID 170486802
benzyl N-[4-(2,4-dihydroxyphenyl)but-3-enyl]carbamate
CID 170493606
5-fluoro-2-(4-sulfanylbut-1-enyl)phenol
CID 170477900
2-(4-aminobut-1-enyl)-6-hydroxybenzaldehyde
CID 170486809
4-[2,3-diamino-4-(2,4-dihydroxyphenyl)buta-1,3-dienyl]benzene-1,3-diol
CID 154312775
4-(2,4,5-trifluorophenyl)but-3-en-1-amine
CID 170486760

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminobut-1-enyl)benzene-1,3-diol?
The IUPAC name of 4-(4-aminobut-1-enyl)benzene-1,3-diol (CID 170486543) is 4-(4-aminobut-1-enyl)benzene-1,3-diol.
What is the SMILES notation for 4-(4-aminobut-1-enyl)benzene-1,3-diol?
The canonical SMILES for 4-(4-aminobut-1-enyl)benzene-1,3-diol is NCCC=Cc1ccc(O)cc1O.
What is the InChIKey of 4-(4-aminobut-1-enyl)benzene-1,3-diol?
The InChIKey is FBLICESWFWAYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c11-6-2-1-3-8-4-5-9(12)7-10(8)13/h1,3-5,7,12-13H,2,6,11H2.
What are the key properties of 4-(4-aminobut-1-enyl)benzene-1,3-diol?
4-(4-aminobut-1-enyl)benzene-1,3-diol has a molecular weight of 179.22 g/mol, XLogP of 1.46, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminobut-1-enyl)benzene-1,3-diol is sourced from PubChem (CID 170486543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).