(Z)-2-(2,3-dihydro-1-benzofuran-2-yl)but-2-enamide

C12H13NO2 — CID 90190601

IUPAC(Z)-2-(2,3-dihydro-1-benzofuran-2-yl)but-2-enamide
SMILESC/C=C(\C(N)=O)C1Cc2ccccc2O1
InChIInChI=1S/C12H13NO2/c1-2-9(12(13)14)11-7-8-5-3-4-6-10(8)15-11/h2-6,11H,7H2,1H3,(H2,13,14)/b9-2-
InChIKeyYIBBEVACAJNHGZ-MBXJOHMKSA-N
MW203.24 g/mol
LogP1.42
Rot. Bonds2

About (Z)-2-(2,3-dihydro-1-benzofuran-2-yl)but-2-enamide

(Z)-2-(2,3-dihydro-1-benzofuran-2-yl)but-2-enamide (PubChem CID 90190601) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is (Z)-2-(2,3-dihydro-1-benzofuran-2-yl)but-2-enamide.

Molecular Properties

Compound Name(Z)-2-(2,3-dihydro-1-benzofuran-2-yl)but-2-enamide
PubChem CID90190601
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name(Z)-2-(2,3-dihydro-1-benzofuran-2-yl)but-2-enamide
SMILESC/C=C(\C(N)=O)C1Cc2ccccc2O1
InChIInChI=1S/C12H13NO2/c1-2-9(12(13)14)11-7-8-5-3-4-6-10(8)15-11/h2-6,11H,7H2,1H3,(H2,13,14)/b9-2-
InChIKeyYIBBEVACAJNHGZ-MBXJOHMKSA-N
XLogP1.42
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-chloro-1-[(2S)-2,3-dihydro-1-benzofuran-2-yl]ethanone
CID 93494296
2-chloro-1-(2,3-dihydro-1-benzofuran-2-yl)ethanone
CID 45080935
N-(1-amino-1-sulfanylidenebutan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 61120291
N-(3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47127876
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 61125933
[(2R)-2,3-dihydro-1-benzofuran-2-yl]-(4-methoxyphenyl)methanone
CID 132502479
2-[2,3-dihydro-1-benzofuran-2-carbonyl(propan-2-yl)amino]acetic acid
CID 60831340
N-(2-aminoethyl)-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 61350079
2,3-dihydro-1-benzofuran-2-yl-(4-propan-2-yloxyphenyl)methanone
CID 43339571
(2R)-2-(2,3-dihydro-1-benzofuran-2-carbonylamino)-3,3-dimethylbutanoic acid
CID 103926570
2-[2,3-dihydro-1-benzofuran-2-carbonyl(methyl)amino]propanoic acid
CID 55098742
N-(3-amino-2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 113295190

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(2,3-dihydro-1-benzofuran-2-yl)but-2-enamide?
The IUPAC name of (Z)-2-(2,3-dihydro-1-benzofuran-2-yl)but-2-enamide (CID 90190601) is (Z)-2-(2,3-dihydro-1-benzofuran-2-yl)but-2-enamide.
What is the SMILES notation for (Z)-2-(2,3-dihydro-1-benzofuran-2-yl)but-2-enamide?
The canonical SMILES for (Z)-2-(2,3-dihydro-1-benzofuran-2-yl)but-2-enamide is C/C=C(\C(N)=O)C1Cc2ccccc2O1.
What is the InChIKey of (Z)-2-(2,3-dihydro-1-benzofuran-2-yl)but-2-enamide?
The InChIKey is YIBBEVACAJNHGZ-MBXJOHMKSA-N. The full InChI is InChI=1S/C12H13NO2/c1-2-9(12(13)14)11-7-8-5-3-4-6-10(8)15-11/h2-6,11H,7H2,1H3,(H2,13,14)/b9-2-.
What are the key properties of (Z)-2-(2,3-dihydro-1-benzofuran-2-yl)but-2-enamide?
(Z)-2-(2,3-dihydro-1-benzofuran-2-yl)but-2-enamide has a molecular weight of 203.24 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(2,3-dihydro-1-benzofuran-2-yl)but-2-enamide is sourced from PubChem (CID 90190601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).