2-prop-1-ynylbenzamide

C10H9NO — CID 22414186

IUPAC2-prop-1-ynylbenzamide
SMILESCC#Cc1ccccc1C(N)=O
InChIInChI=1S/C10H9NO/c1-2-5-8-6-3-4-7-9(8)10(11)12/h3-4,6-7H,1H3,(H2,11,12)
InChIKeyUURDEBPGOSLCQJ-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.16
Rot. Bonds1

About 2-prop-1-ynylbenzamide

2-prop-1-ynylbenzamide (PubChem CID 22414186) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-prop-1-ynylbenzamide.

Molecular Properties

Compound Name2-prop-1-ynylbenzamide
PubChem CID22414186
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name2-prop-1-ynylbenzamide
SMILESCC#Cc1ccccc1C(N)=O
InChIInChI=1S/C10H9NO/c1-2-5-8-6-3-4-7-9(8)10(11)12/h3-4,6-7H,1H3,(H2,11,12)
InChIKeyUURDEBPGOSLCQJ-UHFFFAOYSA-N
XLogP1.16
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-prop-1-ynylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-prop-1-ynylbenzamide?
The IUPAC name of 2-prop-1-ynylbenzamide (CID 22414186) is 2-prop-1-ynylbenzamide.
What is the SMILES notation for 2-prop-1-ynylbenzamide?
The canonical SMILES for 2-prop-1-ynylbenzamide is CC#Cc1ccccc1C(N)=O.
What is the InChIKey of 2-prop-1-ynylbenzamide?
The InChIKey is UURDEBPGOSLCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c1-2-5-8-6-3-4-7-9(8)10(11)12/h3-4,6-7H,1H3,(H2,11,12).
What are the key properties of 2-prop-1-ynylbenzamide?
2-prop-1-ynylbenzamide has a molecular weight of 159.19 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-1-ynylbenzamide is sourced from PubChem (CID 22414186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).