(E)-N-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]but-2-enamide

C17H19NO3 — CID 18783021

IUPAC(E)-N-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]but-2-enamide
SMILESC/C=C/C(=O)NCCc1coc2ccc3c(c12)CCCO3
InChIInChI=1S/C17H19NO3/c1-2-4-16(19)18-9-8-12-11-21-15-7-6-14-13(17(12)15)5-3-10-20-14/h2,4,6-7,11H,3,5,8-10H2,1H3,(H,18,19)/b4-2+
InChIKeyMJWMMQXOSZTGPR-DUXPYHPUSA-N
MW285.34 g/mol
LogP2.99
Rot. Bonds4

About (E)-N-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]but-2-enamide

(E)-N-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]but-2-enamide (PubChem CID 18783021) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is (E)-N-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]but-2-enamide
PubChem CID18783021
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name(E)-N-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]but-2-enamide
SMILESC/C=C/C(=O)NCCc1coc2ccc3c(c12)CCCO3
InChIInChI=1S/C17H19NO3/c1-2-4-16(19)18-9-8-12-11-21-15-7-6-14-13(17(12)15)5-3-10-20-14/h2,4,6-7,11H,3,5,8-10H2,1H3,(H,18,19)/b4-2+
InChIKeyMJWMMQXOSZTGPR-DUXPYHPUSA-N
XLogP2.99
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]but-2-enamide?
The IUPAC name of (E)-N-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]but-2-enamide (CID 18783021) is (E)-N-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]but-2-enamide.
What is the SMILES notation for (E)-N-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]but-2-enamide?
The canonical SMILES for (E)-N-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]but-2-enamide is C/C=C/C(=O)NCCc1coc2ccc3c(c12)CCCO3.
What is the InChIKey of (E)-N-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]but-2-enamide?
The InChIKey is MJWMMQXOSZTGPR-DUXPYHPUSA-N. The full InChI is InChI=1S/C17H19NO3/c1-2-4-16(19)18-9-8-12-11-21-15-7-6-14-13(17(12)15)5-3-10-20-14/h2,4,6-7,11H,3,5,8-10H2,1H3,(H,18,19)/b4-2+.
What are the key properties of (E)-N-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]but-2-enamide?
(E)-N-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]but-2-enamide has a molecular weight of 285.34 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]but-2-enamide is sourced from PubChem (CID 18783021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).