N-(2-methylprop-2-enyl)-2,3-dihydro-1-benzofuran-5-carboxamide

C13H15NO2 — CID 114618555

IUPACN-(2-methylprop-2-enyl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESC=C(C)CNC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H15NO2/c1-9(2)8-14-13(15)11-3-4-12-10(7-11)5-6-16-12/h3-4,7H,1,5-6,8H2,2H3,(H,14,15)
InChIKeyOMHQVVNHOPAASI-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.93
Rot. Bonds3

About N-(2-methylprop-2-enyl)-2,3-dihydro-1-benzofuran-5-carboxamide

N-(2-methylprop-2-enyl)-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 114618555) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is N-(2-methylprop-2-enyl)-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-(2-methylprop-2-enyl)-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID114618555
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC NameN-(2-methylprop-2-enyl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESC=C(C)CNC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H15NO2/c1-9(2)8-14-13(15)11-3-4-12-10(7-11)5-6-16-12/h3-4,7H,1,5-6,8H2,2H3,(H,14,15)
InChIKeyOMHQVVNHOPAASI-UHFFFAOYSA-N
XLogP1.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3,3-dimethyl-2-oxobutyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 64992032
N-(2-methylprop-2-enyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 114618954
N-[2-(methylamino)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 103512682
N-(3-amino-2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 113295192
N-(3-chloro-2-methylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 114302534
N-(3-amino-2-methylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 62667060
3-(2,3-dihydro-1-benzofuran-5-carbonylamino)-2-hydroxypropanoic acid
CID 66166416
4-(2,3-dihydro-1-benzofuran-5-carbonylamino)-2-methylbutanoic acid
CID 80539298
methyl 3-(2,3-dihydro-1-benzofuran-5-carbonylamino)-2-hydroxypropanoate
CID 103879254
2-(2,3-dihydro-1-benzofuran-5-carbonylamino)-2-methylpropanoic acid
CID 61261538
N-(6-iodohexyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 107848625
N-[(4-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 47160691

Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-2-enyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-(2-methylprop-2-enyl)-2,3-dihydro-1-benzofuran-5-carboxamide (CID 114618555) is N-(2-methylprop-2-enyl)-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-(2-methylprop-2-enyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-(2-methylprop-2-enyl)-2,3-dihydro-1-benzofuran-5-carboxamide is C=C(C)CNC(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of N-(2-methylprop-2-enyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is OMHQVVNHOPAASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-9(2)8-14-13(15)11-3-4-12-10(7-11)5-6-16-12/h3-4,7H,1,5-6,8H2,2H3,(H,14,15).
What are the key properties of N-(2-methylprop-2-enyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
N-(2-methylprop-2-enyl)-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 217.27 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-2-enyl)-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 114618555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).