(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-methylcyclopentyl)prop-2-enamide

C17H21NO2 — CID 114549802

IUPAC(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-methylcyclopentyl)prop-2-enamide
SMILESCC1CCC(NC(=O)/C=C/c2ccc3c(c2)CCO3)C1
InChIInChI=1S/C17H21NO2/c1-12-2-5-15(10-12)18-17(19)7-4-13-3-6-16-14(11-13)8-9-20-16/h3-4,6-7,11-12,15H,2,5,8-10H2,1H3,(H,18,19)/b7-4+
InChIKeyDXUFNTIZIUHMHB-QPJJXVBHSA-N
MW271.36 g/mol
LogP2.94
Rot. Bonds3

About (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-methylcyclopentyl)prop-2-enamide

(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-methylcyclopentyl)prop-2-enamide (PubChem CID 114549802) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-methylcyclopentyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-methylcyclopentyl)prop-2-enamide
PubChem CID114549802
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-methylcyclopentyl)prop-2-enamide
SMILESCC1CCC(NC(=O)/C=C/c2ccc3c(c2)CCO3)C1
InChIInChI=1S/C17H21NO2/c1-12-2-5-15(10-12)18-17(19)7-4-13-3-6-16-14(11-13)8-9-20-16/h3-4,6-7,11-12,15H,2,5,8-10H2,1H3,(H,18,19)/b7-4+
InChIKeyDXUFNTIZIUHMHB-QPJJXVBHSA-N
XLogP2.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.94
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

(E)-3-(4-chlorophenyl)-N-(3-methylcyclopentyl)prop-2-enamide
CID 14967663
(E)-3-(3-bromophenyl)-N-(3-methylcyclopentyl)prop-2-enamide
CID 114549911
(E)-N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide
CID 24614409
3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide
CID 74868098
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-phenylprop-2-enamide
CID 17460201
N-(1-benzylpiperidin-3-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide
CID 55645166
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-hydroxy-2-methylpropan-2-yl)prop-2-enamide
CID 43500712
(E)-N-cyclopentyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
CID 26697363
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-hydroxy-2-methylpentyl)prop-2-enamide
CID 103713325
3-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoylamino]-3-methylbutanoic acid
CID 77058343
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3,4-dimethylphenyl)prop-2-enamide
CID 17491868
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(4-hydroxy-2-methylbutan-2-yl)prop-2-enamide
CID 115870213

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-methylcyclopentyl)prop-2-enamide?
The IUPAC name of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-methylcyclopentyl)prop-2-enamide (CID 114549802) is (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-methylcyclopentyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-methylcyclopentyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-methylcyclopentyl)prop-2-enamide is CC1CCC(NC(=O)/C=C/c2ccc3c(c2)CCO3)C1.
What is the InChIKey of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-methylcyclopentyl)prop-2-enamide?
The InChIKey is DXUFNTIZIUHMHB-QPJJXVBHSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12-2-5-15(10-12)18-17(19)7-4-13-3-6-16-14(11-13)8-9-20-16/h3-4,6-7,11-12,15H,2,5,8-10H2,1H3,(H,18,19)/b7-4+.
What are the key properties of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-methylcyclopentyl)prop-2-enamide?
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-methylcyclopentyl)prop-2-enamide has a molecular weight of 271.36 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-methylcyclopentyl)prop-2-enamide is sourced from PubChem (CID 114549802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).