2,6-dihydroxy-N-pent-4-en-2-ylbenzamide

C12H15NO3 — CID 103890504

IUPAC2,6-dihydroxy-N-pent-4-en-2-ylbenzamide
SMILESC=CCC(C)NC(=O)c1c(O)cccc1O
InChIInChI=1S/C12H15NO3/c1-3-5-8(2)13-12(16)11-9(14)6-4-7-10(11)15/h3-4,6-8,14-15H,1,5H2,2H3,(H,13,16)
InChIKeyXZNAWGQDENCVDO-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.79
Rot. Bonds4

About 2,6-dihydroxy-N-pent-4-en-2-ylbenzamide

2,6-dihydroxy-N-pent-4-en-2-ylbenzamide (PubChem CID 103890504) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2,6-dihydroxy-N-pent-4-en-2-ylbenzamide.

Molecular Properties

Compound Name2,6-dihydroxy-N-pent-4-en-2-ylbenzamide
PubChem CID103890504
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2,6-dihydroxy-N-pent-4-en-2-ylbenzamide
SMILESC=CCC(C)NC(=O)c1c(O)cccc1O
InChIInChI=1S/C12H15NO3/c1-3-5-8(2)13-12(16)11-9(14)6-4-7-10(11)15/h3-4,6-8,14-15H,1,5H2,2H3,(H,13,16)
InChIKeyXZNAWGQDENCVDO-UHFFFAOYSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,6-dihydroxy-N-pentan-2-ylbenzamide
CID 103890167
2-hydroxy-3-nitro-N-pent-4-en-2-ylbenzamide
CID 103800269
2,6-dihydroxy-N-(1-methoxypropan-2-yl)benzamide
CID 103748891
3-hydroxy-4-methyl-N-pent-4-en-2-ylbenzamide
CID 115993829
3,5-dihydroxy-N-pent-4-en-2-ylbenzamide
CID 104939027
N-heptan-2-yl-2,6-dihydroxybenzamide
CID 103748986
3-hydroxy-4-iodo-N-pent-4-en-2-ylbenzamide
CID 104628600
4-fluoro-N-pent-4-en-2-ylbenzamide
CID 115631330
3-hydroxy-4-nitro-N-pent-4-en-2-ylbenzamide
CID 113237672
N-(1-bromopropan-2-yl)-2-fluoro-6-hydroxybenzamide
CID 107016869
phenyl N-pent-4-en-2-ylcarbamate
CID 115631343
2-hydroxy-4-methoxy-N-pent-4-en-2-ylbenzamide
CID 113237673

Frequently Asked Questions

What is the IUPAC name of 2,6-dihydroxy-N-pent-4-en-2-ylbenzamide?
The IUPAC name of 2,6-dihydroxy-N-pent-4-en-2-ylbenzamide (CID 103890504) is 2,6-dihydroxy-N-pent-4-en-2-ylbenzamide.
What is the SMILES notation for 2,6-dihydroxy-N-pent-4-en-2-ylbenzamide?
The canonical SMILES for 2,6-dihydroxy-N-pent-4-en-2-ylbenzamide is C=CCC(C)NC(=O)c1c(O)cccc1O.
What is the InChIKey of 2,6-dihydroxy-N-pent-4-en-2-ylbenzamide?
The InChIKey is XZNAWGQDENCVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-3-5-8(2)13-12(16)11-9(14)6-4-7-10(11)15/h3-4,6-8,14-15H,1,5H2,2H3,(H,13,16).
What are the key properties of 2,6-dihydroxy-N-pent-4-en-2-ylbenzamide?
2,6-dihydroxy-N-pent-4-en-2-ylbenzamide 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 2,6-dihydroxy-N-pent-4-en-2-ylbenzamide is sourced from PubChem (CID 103890504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).