2,5-dihydroxy-N-[(E)-pent-3-enyl]benzamide

C12H15NO3 — CID 107723701

IUPAC2,5-dihydroxy-N-[(E)-pent-3-enyl]benzamide
SMILESC/C=C/CCNC(=O)c1cc(O)ccc1O
InChIInChI=1S/C12H15NO3/c1-2-3-4-7-13-12(16)10-8-9(14)5-6-11(10)15/h2-3,5-6,8,14-15H,4,7H2,1H3,(H,13,16)/b3-2+
InChIKeyCGLNSECIEISULZ-NSCUHMNNSA-N
MW221.26 g/mol
LogP1.79
Rot. Bonds4

About 2,5-dihydroxy-N-[(E)-pent-3-enyl]benzamide

2,5-dihydroxy-N-[(E)-pent-3-enyl]benzamide (PubChem CID 107723701) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2,5-dihydroxy-N-[(E)-pent-3-enyl]benzamide.

Molecular Properties

Compound Name2,5-dihydroxy-N-[(E)-pent-3-enyl]benzamide
PubChem CID107723701
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2,5-dihydroxy-N-[(E)-pent-3-enyl]benzamide
SMILESC/C=C/CCNC(=O)c1cc(O)ccc1O
InChIInChI=1S/C12H15NO3/c1-2-3-4-7-13-12(16)10-8-9(14)5-6-11(10)15/h2-3,5-6,8,14-15H,4,7H2,1H3,(H,13,16)/b3-2+
InChIKeyCGLNSECIEISULZ-NSCUHMNNSA-N
XLogP1.79
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-N-[(E)-pent-3-enyl]naphthalene-2-carboxamide
CID 115628024
2,5-dihydroxy-N-[2-(methylamino)ethyl]benzamide
CID 107725066
methyl 4-[(2,5-dihydroxybenzoyl)amino]butanoate
CID 67654054
N-(2-fluoroethyl)-2,5-dihydroxybenzamide
CID 130504504
N-[2-(ethylamino)ethyl]-2,5-dihydroxybenzamide
CID 107725067
N-[4-[3-[(2,5-dihydroxybenzoyl)amino]propylamino]butyl]-2,5-dihydroxybenzamide
CID 57339218
N-(4-chlorobutyl)-2,5-dihydroxybenzamide
CID 107726261
N-(cyanomethyl)-2,5-dihydroxybenzamide
CID 103892329
2-amino-N-[(E)-pent-3-enyl]benzamide
CID 115976398
N-[(E)-4-aminobut-2-enyl]-2,5-dihydroxybenzamide
CID 107725288
2-chloro-4-methyl-N-[(E)-pent-3-enyl]benzamide
CID 103581958
2,5-dihydroxy-N-(2-methylprop-2-enyl)benzamide
CID 107723898

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-N-[(E)-pent-3-enyl]benzamide?
The IUPAC name of 2,5-dihydroxy-N-[(E)-pent-3-enyl]benzamide (CID 107723701) is 2,5-dihydroxy-N-[(E)-pent-3-enyl]benzamide.
What is the SMILES notation for 2,5-dihydroxy-N-[(E)-pent-3-enyl]benzamide?
The canonical SMILES for 2,5-dihydroxy-N-[(E)-pent-3-enyl]benzamide is C/C=C/CCNC(=O)c1cc(O)ccc1O.
What is the InChIKey of 2,5-dihydroxy-N-[(E)-pent-3-enyl]benzamide?
The InChIKey is CGLNSECIEISULZ-NSCUHMNNSA-N. The full InChI is InChI=1S/C12H15NO3/c1-2-3-4-7-13-12(16)10-8-9(14)5-6-11(10)15/h2-3,5-6,8,14-15H,4,7H2,1H3,(H,13,16)/b3-2+.
What are the key properties of 2,5-dihydroxy-N-[(E)-pent-3-enyl]benzamide?
2,5-dihydroxy-N-[(E)-pent-3-enyl]benzamide has a molecular weight of 221.26 g/mol, XLogP of 1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxy-N-[(E)-pent-3-enyl]benzamide is sourced from PubChem (CID 107723701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).