4-hydroxy-3-(3-methylbut-2-enyl)benzamide

C12H15NO2 — CID 102113939

IUPAC4-hydroxy-3-(3-methylbut-2-enyl)benzamide
SMILESCC(C)=CCc1cc(C(N)=O)ccc1O
InChIInChI=1S/C12H15NO2/c1-8(2)3-4-9-7-10(12(13)15)5-6-11(9)14/h3,5-7,14H,4H2,1-2H3,(H2,13,15)
InChIKeyQNVCSEHOSAXKCK-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.00
Rot. Bonds3

About 4-hydroxy-3-(3-methylbut-2-enyl)benzamide

4-hydroxy-3-(3-methylbut-2-enyl)benzamide (PubChem CID 102113939) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 4-hydroxy-3-(3-methylbut-2-enyl)benzamide.

Molecular Properties

Compound Name4-hydroxy-3-(3-methylbut-2-enyl)benzamide
PubChem CID102113939
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name4-hydroxy-3-(3-methylbut-2-enyl)benzamide
SMILESCC(C)=CCc1cc(C(N)=O)ccc1O
InChIInChI=1S/C12H15NO2/c1-8(2)3-4-9-7-10(12(13)15)5-6-11(9)14/h3,5-7,14H,4H2,1-2H3,(H2,13,15)
InChIKeyQNVCSEHOSAXKCK-UHFFFAOYSA-N
XLogP2.00
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.00
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

Salicylamide
CID 5147
4'-Hydroxy-3'-methylacetophenone
CID 70135
4-Hydroxybenzoic acid hydrazide
CID 1742
5-Acetylsalicylamide
CID 198212
2,3-Cresotamide
CID 26392
2,4-Dihydroxybenzamide
CID 76601
4-Hydroxybenzamide
CID 65052
4-Hydroxy-3-(3-methyl-2-butenyl)acetophenone
CID 442916
P-Hydroxybenzohydroxamic acid
CID 269946
4-Hydroxy-3,5-diiodobenzamide
CID 633676
4'-Hydroxy-3',5'-dimethylacetophenone
CID 36581
Benzamide, 4-hydroxy-N-methyl-
CID 119691

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(3-methylbut-2-enyl)benzamide?
The IUPAC name of 4-hydroxy-3-(3-methylbut-2-enyl)benzamide (CID 102113939) is 4-hydroxy-3-(3-methylbut-2-enyl)benzamide.
What is the SMILES notation for 4-hydroxy-3-(3-methylbut-2-enyl)benzamide?
The canonical SMILES for 4-hydroxy-3-(3-methylbut-2-enyl)benzamide is CC(C)=CCc1cc(C(N)=O)ccc1O.
What is the InChIKey of 4-hydroxy-3-(3-methylbut-2-enyl)benzamide?
The InChIKey is QNVCSEHOSAXKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-8(2)3-4-9-7-10(12(13)15)5-6-11(9)14/h3,5-7,14H,4H2,1-2H3,(H2,13,15).
What are the key properties of 4-hydroxy-3-(3-methylbut-2-enyl)benzamide?
4-hydroxy-3-(3-methylbut-2-enyl)benzamide has a molecular weight of 205.26 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(3-methylbut-2-enyl)benzamide is sourced from PubChem (CID 102113939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).