3-hydroxy-4-methyl-N-pent-4-en-2-ylbenzamide

C13H17NO2 — CID 115993829

IUPAC3-hydroxy-4-methyl-N-pent-4-en-2-ylbenzamide
SMILESC=CCC(C)NC(=O)c1ccc(C)c(O)c1
InChIInChI=1S/C13H17NO2/c1-4-5-10(3)14-13(16)11-7-6-9(2)12(15)8-11/h4,6-8,10,15H,1,5H2,2-3H3,(H,14,16)
InChIKeyYKUJEMMQZMMKNE-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.40
Rot. Bonds4

About 3-hydroxy-4-methyl-N-pent-4-en-2-ylbenzamide

3-hydroxy-4-methyl-N-pent-4-en-2-ylbenzamide (PubChem CID 115993829) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-hydroxy-4-methyl-N-pent-4-en-2-ylbenzamide.

Molecular Properties

Compound Name3-hydroxy-4-methyl-N-pent-4-en-2-ylbenzamide
PubChem CID115993829
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name3-hydroxy-4-methyl-N-pent-4-en-2-ylbenzamide
SMILESC=CCC(C)NC(=O)c1ccc(C)c(O)c1
InChIInChI=1S/C13H17NO2/c1-4-5-10(3)14-13(16)11-7-6-9(2)12(15)8-11/h4,6-8,10,15H,1,5H2,2-3H3,(H,14,16)
InChIKeyYKUJEMMQZMMKNE-UHFFFAOYSA-N
XLogP2.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-4-iodo-N-pent-4-en-2-ylbenzamide
CID 104628600
3-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide
CID 79030846
3-hydroxy-4-nitro-N-pent-4-en-2-ylbenzamide
CID 113237672
3,5-dihydroxy-N-pent-4-en-2-ylbenzamide
CID 104939027
4-fluoro-N-pent-4-en-2-ylbenzamide
CID 115631330
4-fluoro-N-pent-4-en-2-yl-3-sulfanylbenzamide
CID 107035149
2-[(3-hydroxy-4-methylbenzoyl)amino]propanoic acid
CID 16778253
2,6-dihydroxy-N-pent-4-en-2-ylbenzamide
CID 103890504
N-pent-4-en-2-yl-1H-indole-5-carboxamide
CID 113237404
2-fluoro-N-pent-4-en-2-ylpyridine-4-carboxamide
CID 115631310
3,4,5-trifluoro-N-pent-4-en-2-ylbenzamide
CID 115631311
2-oxo-N-pent-4-en-2-yl-1,3-dihydroindole-5-carboxamide
CID 113237405

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methyl-N-pent-4-en-2-ylbenzamide?
The IUPAC name of 3-hydroxy-4-methyl-N-pent-4-en-2-ylbenzamide (CID 115993829) is 3-hydroxy-4-methyl-N-pent-4-en-2-ylbenzamide.
What is the SMILES notation for 3-hydroxy-4-methyl-N-pent-4-en-2-ylbenzamide?
The canonical SMILES for 3-hydroxy-4-methyl-N-pent-4-en-2-ylbenzamide is C=CCC(C)NC(=O)c1ccc(C)c(O)c1.
What is the InChIKey of 3-hydroxy-4-methyl-N-pent-4-en-2-ylbenzamide?
The InChIKey is YKUJEMMQZMMKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-4-5-10(3)14-13(16)11-7-6-9(2)12(15)8-11/h4,6-8,10,15H,1,5H2,2-3H3,(H,14,16).
What are the key properties of 3-hydroxy-4-methyl-N-pent-4-en-2-ylbenzamide?
3-hydroxy-4-methyl-N-pent-4-en-2-ylbenzamide has a molecular weight of 219.28 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methyl-N-pent-4-en-2-ylbenzamide is sourced from PubChem (CID 115993829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).