1-(furan-2-yl)-2-(prop-2-ynylamino)ethanone

C9H9NO2 — CID 116589590

IUPAC1-(furan-2-yl)-2-(prop-2-ynylamino)ethanone
SMILESC#CCNCC(=O)c1ccco1
InChIInChI=1S/C9H9NO2/c1-2-5-10-7-8(11)9-4-3-6-12-9/h1,3-4,6,10H,5,7H2
InChIKeyCCKCLMUKPSWLBI-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.69
Rot. Bonds4

About 1-(furan-2-yl)-2-(prop-2-ynylamino)ethanone

1-(furan-2-yl)-2-(prop-2-ynylamino)ethanone (PubChem CID 116589590) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-(prop-2-ynylamino)ethanone.

Molecular Properties

Compound Name1-(furan-2-yl)-2-(prop-2-ynylamino)ethanone
PubChem CID116589590
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name1-(furan-2-yl)-2-(prop-2-ynylamino)ethanone
SMILESC#CCNCC(=O)c1ccco1
InChIInChI=1S/C9H9NO2/c1-2-5-10-7-8(11)9-4-3-6-12-9/h1,3-4,6,10H,5,7H2
InChIKeyCCKCLMUKPSWLBI-UHFFFAOYSA-N
XLogP0.69
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.69
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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Related Compounds

1-(furan-2-yl)-2-(propylamino)ethanone
CID 14188381
1-(furan-2-yl)-3-(prop-2-ynylamino)propan-2-one
CID 116589494
1-(1-benzofuran-2-yl)-2-(prop-2-ynylamino)ethanone
CID 114736946
ethane;1-(furan-2-yl)butane-1,3-dione
CID 145463409
N,N-bis(furan-2-ylmethyl)-2-(prop-2-ynylamino)acetamide
CID 78915168
calcium;1-(furan-2-yl)butane-1,3-dione;hydride
CID 173386868
3-(ethylamino)-1-(furan-2-yl)propan-1-one
CID 67303302
2-chloro-N-[2-(furan-2-yl)-2-oxoethyl]acetamide
CID 66568971
1-(7-fluoro-1-benzofuran-2-yl)-2-(prop-2-ynylamino)ethanone
CID 114736948
4-fluoro-1-(furan-2-yl)-4-methylpentane-1,3-dione
CID 90929550
1-(furan-2-yl)-4-methylpentane-1,3-dione
CID 62875308
4-phenyl-1-(prop-2-ynylamino)butan-2-one
CID 116589465

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-(prop-2-ynylamino)ethanone?
The IUPAC name of 1-(furan-2-yl)-2-(prop-2-ynylamino)ethanone (CID 116589590) is 1-(furan-2-yl)-2-(prop-2-ynylamino)ethanone.
What is the SMILES notation for 1-(furan-2-yl)-2-(prop-2-ynylamino)ethanone?
The canonical SMILES for 1-(furan-2-yl)-2-(prop-2-ynylamino)ethanone is C#CCNCC(=O)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-2-(prop-2-ynylamino)ethanone?
The InChIKey is CCKCLMUKPSWLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c1-2-5-10-7-8(11)9-4-3-6-12-9/h1,3-4,6,10H,5,7H2.
What are the key properties of 1-(furan-2-yl)-2-(prop-2-ynylamino)ethanone?
1-(furan-2-yl)-2-(prop-2-ynylamino)ethanone has a molecular weight of 163.18 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-(prop-2-ynylamino)ethanone is sourced from PubChem (CID 116589590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).