N-[(E)-4-aminobut-2-enyl]-2,5-dihydroxybenzamide

C11H14N2O3 — CID 107725288

IUPACN-[(E)-4-aminobut-2-enyl]-2,5-dihydroxybenzamide
SMILESNC/C=C/CNC(=O)c1cc(O)ccc1O
InChIInChI=1S/C11H14N2O3/c12-5-1-2-6-13-11(16)9-7-8(14)3-4-10(9)15/h1-4,7,14-15H,5-6,12H2,(H,13,16)/b2-1+
InChIKeyMRHPAYUDFATGRU-OWOJBTEDSA-N
MW222.24 g/mol
LogP0.34
Rot. Bonds4

About N-[(E)-4-aminobut-2-enyl]-2,5-dihydroxybenzamide

N-[(E)-4-aminobut-2-enyl]-2,5-dihydroxybenzamide (PubChem CID 107725288) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is N-[(E)-4-aminobut-2-enyl]-2,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-4-aminobut-2-enyl]-2,5-dihydroxybenzamide
PubChem CID107725288
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC NameN-[(E)-4-aminobut-2-enyl]-2,5-dihydroxybenzamide
SMILESNC/C=C/CNC(=O)c1cc(O)ccc1O
InChIInChI=1S/C11H14N2O3/c12-5-1-2-6-13-11(16)9-7-8(14)3-4-10(9)15/h1-4,7,14-15H,5-6,12H2,(H,13,16)/b2-1+
InChIKeyMRHPAYUDFATGRU-OWOJBTEDSA-N
XLogP0.34
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluoroethyl)-2,5-dihydroxybenzamide
CID 130504504
2,5-dihydroxy-N-[(E)-pent-3-enyl]benzamide
CID 107723701
N-[(E)-4-aminobut-2-enyl]-2,4-dibromobenzamide
CID 107940197
N-(2,5-dihydroxybenzoyl)-2,5-dihydroxybenzamide
CID 91463347
2,5-dihydroxy-N-[2-(methylamino)ethyl]benzamide
CID 107725066
N-(cyanomethyl)-2,5-dihydroxybenzamide
CID 103892329
N-[3-[3-[4-(3-aminopropylamino)butylamino]propylamino]propyl]-2,5-dihydroxybenzamide
CID 101205069
2,5-dihydroxy-N-(2-methylprop-2-enyl)benzamide
CID 107723898
N-[4-[3-[(2,5-dihydroxybenzoyl)amino]propylamino]butyl]-2,5-dihydroxybenzamide
CID 57339218
2,5-dihydroxy-N-(thiophen-3-ylmethyl)benzamide
CID 103892000
2,5-dihydroxy-N-(3-methyl-2-oxobutyl)benzamide
CID 107722175
N-[2-(ethylamino)ethyl]-2,5-dihydroxybenzamide
CID 107725067

Frequently Asked Questions

What is the IUPAC name of N-[(E)-4-aminobut-2-enyl]-2,5-dihydroxybenzamide?
The IUPAC name of N-[(E)-4-aminobut-2-enyl]-2,5-dihydroxybenzamide (CID 107725288) is N-[(E)-4-aminobut-2-enyl]-2,5-dihydroxybenzamide.
What is the SMILES notation for N-[(E)-4-aminobut-2-enyl]-2,5-dihydroxybenzamide?
The canonical SMILES for N-[(E)-4-aminobut-2-enyl]-2,5-dihydroxybenzamide is NC/C=C/CNC(=O)c1cc(O)ccc1O.
What is the InChIKey of N-[(E)-4-aminobut-2-enyl]-2,5-dihydroxybenzamide?
The InChIKey is MRHPAYUDFATGRU-OWOJBTEDSA-N. The full InChI is InChI=1S/C11H14N2O3/c12-5-1-2-6-13-11(16)9-7-8(14)3-4-10(9)15/h1-4,7,14-15H,5-6,12H2,(H,13,16)/b2-1+.
What are the key properties of N-[(E)-4-aminobut-2-enyl]-2,5-dihydroxybenzamide?
N-[(E)-4-aminobut-2-enyl]-2,5-dihydroxybenzamide has a molecular weight of 222.24 g/mol, XLogP of 0.34, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-aminobut-2-enyl]-2,5-dihydroxybenzamide is sourced from PubChem (CID 107725288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).