5-hydroxy-2-methyl-N-prop-2-ynylbenzamide

C11H11NO2 — CID 130595323

IUPAC5-hydroxy-2-methyl-N-prop-2-ynylbenzamide
SMILESC#CCNC(=O)c1cc(O)ccc1C
InChIInChI=1S/C11H11NO2/c1-3-6-12-11(14)10-7-9(13)5-4-8(10)2/h1,4-5,7,13H,6H2,2H3,(H,12,14)
InChIKeyFLIIMPVTCWNCAP-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.06
Rot. Bonds2

About 5-hydroxy-2-methyl-N-prop-2-ynylbenzamide

5-hydroxy-2-methyl-N-prop-2-ynylbenzamide (PubChem CID 130595323) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 5-hydroxy-2-methyl-N-prop-2-ynylbenzamide.

Molecular Properties

Compound Name5-hydroxy-2-methyl-N-prop-2-ynylbenzamide
PubChem CID130595323
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name5-hydroxy-2-methyl-N-prop-2-ynylbenzamide
SMILESC#CCNC(=O)c1cc(O)ccc1C
InChIInChI=1S/C11H11NO2/c1-3-6-12-11(14)10-7-9(13)5-4-8(10)2/h1,4-5,7,13H,6H2,2H3,(H,12,14)
InChIKeyFLIIMPVTCWNCAP-UHFFFAOYSA-N
XLogP1.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-5-piperidin-1-ylsulfonyl-N-prop-2-ynylbenzamide
CID 7997753
2-fluoro-3-methyl-N-prop-2-ynylbenzamide
CID 80717864
2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-prop-2-ynylbenzamide
CID 30601752
2,6-dimethyl-N-prop-2-ynylbenzamide
CID 103767922
N-(cyanomethyl)-2,5-dihydroxybenzamide
CID 103892329
2-chloro-N-hex-5-ynyl-5-hydroxybenzamide
CID 106209889
5-fluoro-2-methyl-N-pent-4-ynylbenzamide
CID 103708979
5-hydroxy-2-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]benzamide
CID 154735511
N-but-3-ynyl-5-hydroxy-2-nitrobenzamide
CID 102741872
N-[(2-amino-3-pyridinyl)methyl]-5-hydroxy-2-methylbenzamide
CID 137338363
N-[3-(dimethylamino)propyl]-4-hydroxy-2-methylbenzamide
CID 103863454
5-chloro-2,3-difluoro-N-prop-2-ynylbenzamide
CID 164645940

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-methyl-N-prop-2-ynylbenzamide?
The IUPAC name of 5-hydroxy-2-methyl-N-prop-2-ynylbenzamide (CID 130595323) is 5-hydroxy-2-methyl-N-prop-2-ynylbenzamide.
What is the SMILES notation for 5-hydroxy-2-methyl-N-prop-2-ynylbenzamide?
The canonical SMILES for 5-hydroxy-2-methyl-N-prop-2-ynylbenzamide is C#CCNC(=O)c1cc(O)ccc1C.
What is the InChIKey of 5-hydroxy-2-methyl-N-prop-2-ynylbenzamide?
The InChIKey is FLIIMPVTCWNCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-3-6-12-11(14)10-7-9(13)5-4-8(10)2/h1,4-5,7,13H,6H2,2H3,(H,12,14).
What are the key properties of 5-hydroxy-2-methyl-N-prop-2-ynylbenzamide?
5-hydroxy-2-methyl-N-prop-2-ynylbenzamide has a molecular weight of 189.21 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-methyl-N-prop-2-ynylbenzamide is sourced from PubChem (CID 130595323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).