N-prop-2-ynyl-1-benzofuran-2-carboxamide

C12H9NO2 — CID 60646228

IUPACN-prop-2-ynyl-1-benzofuran-2-carboxamide
SMILESC#CCNC(=O)c1cc2ccccc2o1
InChIInChI=1S/C12H9NO2/c1-2-7-13-12(14)11-8-9-5-3-4-6-10(9)15-11/h1,3-6,8H,7H2,(H,13,14)
InChIKeyWBAQPNIPWJLEQF-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.80
Rot. Bonds2

About N-prop-2-ynyl-1-benzofuran-2-carboxamide

N-prop-2-ynyl-1-benzofuran-2-carboxamide (PubChem CID 60646228) has the molecular formula C12H9NO2 and a molecular weight of 199.21 g/mol. Its IUPAC name is N-prop-2-ynyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-prop-2-ynyl-1-benzofuran-2-carboxamide
PubChem CID60646228
Molecular FormulaC12H9NO2
Molecular Weight199.21 g/mol
Exact Mass199.06
IUPAC NameN-prop-2-ynyl-1-benzofuran-2-carboxamide
SMILESC#CCNC(=O)c1cc2ccccc2o1
InChIInChI=1S/C12H9NO2/c1-2-7-13-12(14)11-8-9-5-3-4-6-10(9)15-11/h1,3-6,8H,7H2,(H,13,14)
InChIKeyWBAQPNIPWJLEQF-UHFFFAOYSA-N
XLogP1.80
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1-benzofuran-2-yl)-2-(prop-2-ynylamino)ethanone
CID 114736946
N-(2-chloropropyl)-1-benzofuran-2-carboxamide
CID 114296217
N-(1-benzofuran-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 86994462
N-[2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide
CID 62659751
N-(2-aminopropyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 69484360
N-(3-iodopropyl)-1-benzofuran-2-carboxamide
CID 114504013
N-[(4-acetylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 20677387
N-[(2R)-2-phenylpropyl]-1-benzofuran-2-carboxamide
CID 9302248
N-[(2R)-2-amino-3-methylbutyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 69484472
N-(4-amino-2-methylbutyl)-1-benzofuran-2-carboxamide
CID 66089049
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 47344961
N-[3-[4-(dimethylcarbamoyl)phenyl]prop-2-ynyl]-1-benzofuran-2-carboxamide
CID 90550119

Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-prop-2-ynyl-1-benzofuran-2-carboxamide (CID 60646228) is N-prop-2-ynyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-prop-2-ynyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-prop-2-ynyl-1-benzofuran-2-carboxamide is C#CCNC(=O)c1cc2ccccc2o1.
What is the InChIKey of N-prop-2-ynyl-1-benzofuran-2-carboxamide?
The InChIKey is WBAQPNIPWJLEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO2/c1-2-7-13-12(14)11-8-9-5-3-4-6-10(9)15-11/h1,3-6,8H,7H2,(H,13,14).
What are the key properties of N-prop-2-ynyl-1-benzofuran-2-carboxamide?
N-prop-2-ynyl-1-benzofuran-2-carboxamide has a molecular weight of 199.21 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 60646228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).