3-(3-hydroxyprop-1-ynyl)benzamide

C10H9NO2 — CID 60816355

IUPAC3-(3-hydroxyprop-1-ynyl)benzamide
SMILESNC(=O)c1cccc(C#CCO)c1
InChIInChI=1S/C10H9NO2/c11-10(13)9-5-1-3-8(7-9)4-2-6-12/h1,3,5,7,12H,6H2,(H2,11,13)
InChIKeyABOXBFWOINMGJV-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.13
Rot. Bonds1

About 3-(3-hydroxyprop-1-ynyl)benzamide

3-(3-hydroxyprop-1-ynyl)benzamide (PubChem CID 60816355) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 3-(3-hydroxyprop-1-ynyl)benzamide.

Molecular Properties

Compound Name3-(3-hydroxyprop-1-ynyl)benzamide
PubChem CID60816355
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name3-(3-hydroxyprop-1-ynyl)benzamide
SMILESNC(=O)c1cccc(C#CCO)c1
InChIInChI=1S/C10H9NO2/c11-10(13)9-5-1-3-8(7-9)4-2-6-12/h1,3,5,7,12H,6H2,(H2,11,13)
InChIKeyABOXBFWOINMGJV-UHFFFAOYSA-N
XLogP0.13
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.13
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-[[3-(3-hydroxyprop-1-ynyl)benzoyl]amino]ethyl carbamate
CID 83203353
N-(3-chlorophenyl)-3-(3-hydroxyprop-1-ynyl)benzamide
CID 60816686
3-(3,3-dimethylbut-1-ynyl)benzamide
CID 69120535
N-(3-ethylpentan-3-yl)-3-(3-hydroxyprop-1-ynyl)benzamide
CID 65042615
3-(3-sulfanylprop-1-ynyl)benzoic acid
CID 169486382
N-butan-2-yl-3-(3-hydroxyprop-1-ynyl)-N-methylbenzamide
CID 54922346
3-(3-sulfanylprop-1-ynyl)benzohydrazide
CID 169486919
methyl 3-(4-amino-4-oxobut-1-ynyl)benzoate
CID 170473312
3-(3-hydroxyprop-1-ynyl)-N-(1,2,4-triazin-3-yl)benzamide
CID 114389074
3-(3-hydroxyprop-1-ynyl)-N-(3-methoxyphenyl)benzamide
CID 60815302
methyl 2-[[3-(3-hydroxyprop-1-ynyl)benzoyl]amino]-3-methylbutanoate
CID 60816558
3-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclopentyl)benzamide
CID 64687881

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyprop-1-ynyl)benzamide?
The IUPAC name of 3-(3-hydroxyprop-1-ynyl)benzamide (CID 60816355) is 3-(3-hydroxyprop-1-ynyl)benzamide.
What is the SMILES notation for 3-(3-hydroxyprop-1-ynyl)benzamide?
The canonical SMILES for 3-(3-hydroxyprop-1-ynyl)benzamide is NC(=O)c1cccc(C#CCO)c1.
What is the InChIKey of 3-(3-hydroxyprop-1-ynyl)benzamide?
The InChIKey is ABOXBFWOINMGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c11-10(13)9-5-1-3-8(7-9)4-2-6-12/h1,3,5,7,12H,6H2,(H2,11,13).
What are the key properties of 3-(3-hydroxyprop-1-ynyl)benzamide?
3-(3-hydroxyprop-1-ynyl)benzamide has a molecular weight of 175.19 g/mol, XLogP of 0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyprop-1-ynyl)benzamide is sourced from PubChem (CID 60816355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).