1-(furan-2-yl)-3-(prop-2-ynylamino)propan-2-one

C10H11NO2 — CID 116589494

IUPAC1-(furan-2-yl)-3-(prop-2-ynylamino)propan-2-one
SMILESC#CCNCC(=O)Cc1ccco1
InChIInChI=1S/C10H11NO2/c1-2-5-11-8-9(12)7-10-4-3-6-13-10/h1,3-4,6,11H,5,7-8H2
InChIKeyXMSNENNWINVYQH-UHFFFAOYSA-N
MW177.20 g/mol
LogP0.61
Rot. Bonds5

About 1-(furan-2-yl)-3-(prop-2-ynylamino)propan-2-one

1-(furan-2-yl)-3-(prop-2-ynylamino)propan-2-one (PubChem CID 116589494) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 1-(furan-2-yl)-3-(prop-2-ynylamino)propan-2-one.

Molecular Properties

Compound Name1-(furan-2-yl)-3-(prop-2-ynylamino)propan-2-one
PubChem CID116589494
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name1-(furan-2-yl)-3-(prop-2-ynylamino)propan-2-one
SMILESC#CCNCC(=O)Cc1ccco1
InChIInChI=1S/C10H11NO2/c1-2-5-11-8-9(12)7-10-4-3-6-13-10/h1,3-4,6,11H,5,7-8H2
InChIKeyXMSNENNWINVYQH-UHFFFAOYSA-N
XLogP0.61
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 50.61
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)-3-(methylamino)propan-2-one
CID 83635399
N,N-bis(furan-2-ylmethyl)-2-(prop-2-ynylamino)acetamide
CID 78915168
1-(furan-2-yl)-2-(prop-2-ynylamino)ethanone
CID 116589590
1-(butan-2-ylamino)-3-(furan-2-yl)propan-2-one
CID 116556195
5-(furan-2-yl)-2,4-dioxopentanoic acid
CID 44591401
1-(cyclopentylamino)-3-(furan-2-yl)propan-2-one
CID 116559078
N-(furan-2-ylmethyl)-2-(prop-2-ynylamino)-N-(thiophen-2-ylmethyl)acetamide
CID 78915175
1-(furan-2-yl)-5-methylhexan-2-one
CID 83172823
1-(furan-2-yl)hexan-2-one
CID 3115857
1-(furan-2-yl)-3-(4-methylphenyl)propan-2-one
CID 83172579
4-amino-1-(furan-2-yl)-5,5-dimethylhexan-2-one
CID 116608493
1-(prop-2-ynylamino)pent-4-yn-2-one
CID 116589319

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-3-(prop-2-ynylamino)propan-2-one?
The IUPAC name of 1-(furan-2-yl)-3-(prop-2-ynylamino)propan-2-one (CID 116589494) is 1-(furan-2-yl)-3-(prop-2-ynylamino)propan-2-one.
What is the SMILES notation for 1-(furan-2-yl)-3-(prop-2-ynylamino)propan-2-one?
The canonical SMILES for 1-(furan-2-yl)-3-(prop-2-ynylamino)propan-2-one is C#CCNCC(=O)Cc1ccco1.
What is the InChIKey of 1-(furan-2-yl)-3-(prop-2-ynylamino)propan-2-one?
The InChIKey is XMSNENNWINVYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-2-5-11-8-9(12)7-10-4-3-6-13-10/h1,3-4,6,11H,5,7-8H2.
What are the key properties of 1-(furan-2-yl)-3-(prop-2-ynylamino)propan-2-one?
1-(furan-2-yl)-3-(prop-2-ynylamino)propan-2-one has a molecular weight of 177.20 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-3-(prop-2-ynylamino)propan-2-one is sourced from PubChem (CID 116589494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).