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

C11H11NO2 — CID 74868098

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide
SMILESNC(=O)C=Cc1ccc2c(c1)CCO2
InChIInChI=1S/C11H11NO2/c12-11(13)4-2-8-1-3-10-9(7-8)5-6-14-10/h1-4,7H,5-6H2,(H2,12,13)
InChIKeyAPDAJBOWTBDELE-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.12
Rot. Bonds2

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

3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide (PubChem CID 74868098) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide
PubChem CID74868098
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide
SMILESNC(=O)C=Cc1ccc2c(c1)CCO2
InChIInChI=1S/C11H11NO2/c12-11(13)4-2-8-1-3-10-9(7-8)5-6-14-10/h1-4,7H,5-6H2,(H2,12,13)
InChIKeyAPDAJBOWTBDELE-UHFFFAOYSA-N
XLogP1.12
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.12
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

3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
CID 169481919
fluoro (E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate
CID 143200425
3-(4-oxo-2,3-dihydrochromen-6-yl)prop-2-enamide
CID 169482398
(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenol
CID 90352085
propyl 3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate
CID 112725026
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-phenylprop-2-enamide
CID 17460201
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylsulfanylphenyl)prop-2-en-1-one
CID 156783239
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-pyridin-4-ylprop-2-enamide
CID 39471751
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-hydroxy-2-methylpropan-2-yl)prop-2-enamide
CID 43500712
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-oxa-7-azaspiro[3.5]nonan-7-yl)prop-2-en-1-one
CID 126809497
ethyl 4-(2,3-dihydro-1-benzofuran-5-yl)but-3-enoate
CID 170796261
3-(2,3-dihydro-1-benzofuran-5-yl)-N-phenyl-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 154797024

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide (CID 74868098) is 3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide is NC(=O)C=Cc1ccc2c(c1)CCO2.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide?
The InChIKey is APDAJBOWTBDELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c12-11(13)4-2-8-1-3-10-9(7-8)5-6-14-10/h1-4,7H,5-6H2,(H2,12,13).
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide?
3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide has a molecular weight of 189.21 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide is sourced from PubChem (CID 74868098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).