(E)-N-cyclobutyl-4-(2,3-dihydro-1-benzofuran-5-yl)-4-oxobut-2-enamide

C16H17NO3 — CID 171527682

IUPAC(E)-N-cyclobutyl-4-(2,3-dihydro-1-benzofuran-5-yl)-4-oxobut-2-enamide
SMILESO=C(/C=C/C(=O)c1ccc2c(c1)CCO2)NC1CCC1
InChIInChI=1S/C16H17NO3/c18-14(5-7-16(19)17-13-2-1-3-13)11-4-6-15-12(10-11)8-9-20-15/h4-7,10,13H,1-3,8-9H2,(H,17,19)/b7-5+
InChIKeySVVDWGUBCIBALM-FNORWQNLSA-N
MW271.32 g/mol
LogP2.03
Rot. Bonds4

About (E)-N-cyclobutyl-4-(2,3-dihydro-1-benzofuran-5-yl)-4-oxobut-2-enamide

(E)-N-cyclobutyl-4-(2,3-dihydro-1-benzofuran-5-yl)-4-oxobut-2-enamide (PubChem CID 171527682) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is (E)-N-cyclobutyl-4-(2,3-dihydro-1-benzofuran-5-yl)-4-oxobut-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclobutyl-4-(2,3-dihydro-1-benzofuran-5-yl)-4-oxobut-2-enamide
PubChem CID171527682
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name(E)-N-cyclobutyl-4-(2,3-dihydro-1-benzofuran-5-yl)-4-oxobut-2-enamide
SMILESO=C(/C=C/C(=O)c1ccc2c(c1)CCO2)NC1CCC1
InChIInChI=1S/C16H17NO3/c18-14(5-7-16(19)17-13-2-1-3-13)11-4-6-15-12(10-11)8-9-20-15/h4-7,10,13H,1-3,8-9H2,(H,17,19)/b7-5+
InChIKeySVVDWGUBCIBALM-FNORWQNLSA-N
XLogP2.03
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-cyclobutyl-4-(2,3-dihydro-1-benzofuran-5-yl)-4-oxobut-2-enamide with MolForge

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

Launch Full Analysis

Related Compounds

N-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 71942700
(E)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-hydroxyphenyl)prop-2-en-1-one
CID 170838343
N-(4-chlorocyclohexyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 114296800
N-[3-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 86925196
(E)-1-(4-acetylpiperazin-1-yl)-4-(2,3-dihydro-1-benzofuran-5-yl)but-2-ene-1,4-dione
CID 171527617
N-cyclopentyl-4-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethoxy]benzamide
CID 60608783
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-methylcyclopentyl)prop-2-enamide
CID 114549802
N-[2-(aminomethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 62955860
(E)-3-[4-[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxoprop-1-enyl]-1-methylpyrrol-2-yl]-N-hydroxyprop-2-enamide
CID 24851072
(E)-N-cyclopentyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
CID 26697363
N-(2-bromocyclohexyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 114311850

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclobutyl-4-(2,3-dihydro-1-benzofuran-5-yl)-4-oxobut-2-enamide?
The IUPAC name of (E)-N-cyclobutyl-4-(2,3-dihydro-1-benzofuran-5-yl)-4-oxobut-2-enamide (CID 171527682) is (E)-N-cyclobutyl-4-(2,3-dihydro-1-benzofuran-5-yl)-4-oxobut-2-enamide.
What is the SMILES notation for (E)-N-cyclobutyl-4-(2,3-dihydro-1-benzofuran-5-yl)-4-oxobut-2-enamide?
The canonical SMILES for (E)-N-cyclobutyl-4-(2,3-dihydro-1-benzofuran-5-yl)-4-oxobut-2-enamide is O=C(/C=C/C(=O)c1ccc2c(c1)CCO2)NC1CCC1.
What is the InChIKey of (E)-N-cyclobutyl-4-(2,3-dihydro-1-benzofuran-5-yl)-4-oxobut-2-enamide?
The InChIKey is SVVDWGUBCIBALM-FNORWQNLSA-N. The full InChI is InChI=1S/C16H17NO3/c18-14(5-7-16(19)17-13-2-1-3-13)11-4-6-15-12(10-11)8-9-20-15/h4-7,10,13H,1-3,8-9H2,(H,17,19)/b7-5+.
What are the key properties of (E)-N-cyclobutyl-4-(2,3-dihydro-1-benzofuran-5-yl)-4-oxobut-2-enamide?
(E)-N-cyclobutyl-4-(2,3-dihydro-1-benzofuran-5-yl)-4-oxobut-2-enamide has a molecular weight of 271.32 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclobutyl-4-(2,3-dihydro-1-benzofuran-5-yl)-4-oxobut-2-enamide is sourced from PubChem (CID 171527682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).