1-(2,3-dihydrofuran-5-yl)-2-(prop-2-enylamino)ethanone

C9H13NO2 — CID 102652542

IUPAC1-(2,3-dihydrofuran-5-yl)-2-(prop-2-enylamino)ethanone
SMILESC=CCNCC(=O)C1=CCCO1
InChIInChI=1S/C9H13NO2/c1-2-5-10-7-8(11)9-4-3-6-12-9/h2,4,10H,1,3,5-7H2
InChIKeyHSEXOLYDBCNANV-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.64
Rot. Bonds5

About 1-(2,3-dihydrofuran-5-yl)-2-(prop-2-enylamino)ethanone

1-(2,3-dihydrofuran-5-yl)-2-(prop-2-enylamino)ethanone (PubChem CID 102652542) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-2-(prop-2-enylamino)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-2-(prop-2-enylamino)ethanone
PubChem CID102652542
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name1-(2,3-dihydrofuran-5-yl)-2-(prop-2-enylamino)ethanone
SMILESC=CCNCC(=O)C1=CCCO1
InChIInChI=1S/C9H13NO2/c1-2-5-10-7-8(11)9-4-3-6-12-9/h2,4,10H,1,3,5-7H2
InChIKeyHSEXOLYDBCNANV-UHFFFAOYSA-N
XLogP0.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2,3-dihydrofuran-5-yl)-2-(prop-2-enylamino)ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-5-yl)-2-(prop-2-enylamino)ethanone?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-2-(prop-2-enylamino)ethanone (CID 102652542) is 1-(2,3-dihydrofuran-5-yl)-2-(prop-2-enylamino)ethanone.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-2-(prop-2-enylamino)ethanone?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-2-(prop-2-enylamino)ethanone is C=CCNCC(=O)C1=CCCO1.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-2-(prop-2-enylamino)ethanone?
The InChIKey is HSEXOLYDBCNANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-2-5-10-7-8(11)9-4-3-6-12-9/h2,4,10H,1,3,5-7H2.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-2-(prop-2-enylamino)ethanone?
1-(2,3-dihydrofuran-5-yl)-2-(prop-2-enylamino)ethanone has a molecular weight of 167.21 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-5-yl)-2-(prop-2-enylamino)ethanone is sourced from PubChem (CID 102652542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).