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

C9H11NO2 — CID 102652541

IUPAC1-(2,3-dihydrofuran-5-yl)-2-(prop-2-ynylamino)ethanone
SMILESC#CCNCC(=O)C1=CCCO1
InChIInChI=1S/C9H11NO2/c1-2-5-10-7-8(11)9-4-3-6-12-9/h1,4,10H,3,5-7H2
InChIKeyCTUJQAHVBCOGJB-UHFFFAOYSA-N
MW165.19 g/mol
LogP0.08
Rot. Bonds4

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

1-(2,3-dihydrofuran-5-yl)-2-(prop-2-ynylamino)ethanone (PubChem CID 102652541) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-2-(prop-2-ynylamino)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-2-(prop-2-ynylamino)ethanone
PubChem CID102652541
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name1-(2,3-dihydrofuran-5-yl)-2-(prop-2-ynylamino)ethanone
SMILESC#CCNCC(=O)C1=CCCO1
InChIInChI=1S/C9H11NO2/c1-2-5-10-7-8(11)9-4-3-6-12-9/h1,4,10H,3,5-7H2
InChIKeyCTUJQAHVBCOGJB-UHFFFAOYSA-N
XLogP0.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-5-yl)-2-(prop-2-ynylamino)ethanone?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-2-(prop-2-ynylamino)ethanone (CID 102652541) is 1-(2,3-dihydrofuran-5-yl)-2-(prop-2-ynylamino)ethanone.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-2-(prop-2-ynylamino)ethanone?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-2-(prop-2-ynylamino)ethanone is C#CCNCC(=O)C1=CCCO1.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-2-(prop-2-ynylamino)ethanone?
The InChIKey is CTUJQAHVBCOGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-2-5-10-7-8(11)9-4-3-6-12-9/h1,4,10H,3,5-7H2.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-2-(prop-2-ynylamino)ethanone?
1-(2,3-dihydrofuran-5-yl)-2-(prop-2-ynylamino)ethanone has a molecular weight of 165.19 g/mol, XLogP of 0.08, 4 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-ynylamino)ethanone is sourced from PubChem (CID 102652541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).