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

C17H19NO3 — CID 18782973

IUPACN-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]but-3-enamide
SMILESC=CCC(=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/h2,6-7,11H,1,3-5,8-10H2,(H,18,19)
InChIKeyJKYVNNABVCTRPL-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.99
Rot. Bonds5

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

N-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]but-3-enamide (PubChem CID 18782973) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is N-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]but-3-enamide.

Molecular Properties

Compound NameN-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]but-3-enamide
PubChem CID18782973
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC NameN-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]but-3-enamide
SMILESC=CCC(=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/h2,6-7,11H,1,3-5,8-10H2,(H,18,19)
InChIKeyJKYVNNABVCTRPL-UHFFFAOYSA-N
XLogP2.99
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]but-3-enamide?
The IUPAC name of N-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]but-3-enamide (CID 18782973) is N-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]but-3-enamide.
What is the SMILES notation for N-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]but-3-enamide?
The canonical SMILES for N-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]but-3-enamide is C=CCC(=O)NCCc1coc2ccc3c(c12)CCCO3.
What is the InChIKey of N-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]but-3-enamide?
The InChIKey is JKYVNNABVCTRPL-UHFFFAOYSA-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/h2,6-7,11H,1,3-5,8-10H2,(H,18,19).
What are the key properties of N-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]but-3-enamide?
N-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]but-3-enamide has a molecular weight of 285.34 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]but-3-enamide is sourced from PubChem (CID 18782973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).