1-[2-(5-methylfuran-2-yl)ethylamino]propan-2-one

C10H15NO2 — CID 115235079

IUPAC1-[2-(5-methylfuran-2-yl)ethylamino]propan-2-one
SMILESCC(=O)CNCCc1ccc(C)o1
InChIInChI=1S/C10H15NO2/c1-8(12)7-11-6-5-10-4-3-9(2)13-10/h3-4,11H,5-7H2,1-2H3
InChIKeyRWVIVWVBXGRYNA-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.31
Rot. Bonds5

About 1-[2-(5-methylfuran-2-yl)ethylamino]propan-2-one

1-[2-(5-methylfuran-2-yl)ethylamino]propan-2-one (PubChem CID 115235079) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 1-[2-(5-methylfuran-2-yl)ethylamino]propan-2-one.

Molecular Properties

Compound Name1-[2-(5-methylfuran-2-yl)ethylamino]propan-2-one
PubChem CID115235079
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name1-[2-(5-methylfuran-2-yl)ethylamino]propan-2-one
SMILESCC(=O)CNCCc1ccc(C)o1
InChIInChI=1S/C10H15NO2/c1-8(12)7-11-6-5-10-4-3-9(2)13-10/h3-4,11H,5-7H2,1-2H3
InChIKeyRWVIVWVBXGRYNA-UHFFFAOYSA-N
XLogP1.31
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(5-methylfuran-2-yl)ethylamino]ethanol
CID 115216331
5-[2-(5-methylfuran-2-yl)ethylamino]pentanoic acid
CID 115219138
N-[2-(5-methylfuran-2-yl)ethyl]propanamide
CID 110872482
10-(5-methylfuran-2-yl)decane-2,5,8-trione
CID 154620502
[(5-methylfuran-2-yl)methylamino]methanol
CID 115229060
3-chloro-N-[2-(5-methylfuran-2-yl)ethyl]propanamide
CID 115162657
1,11-bis(5-methylfuran-2-yl)undecane-3,6,9-trione
CID 71384501
[1-[[2-(5-methylfuran-2-yl)ethylamino]methyl]cyclopropyl]methanol
CID 115243693
3-(5-methylfuran-2-yl)-N-[3-[3-(5-methylfuran-2-yl)propanoylamino]propyl]propanamide
CID 4780000
5-acetyl-2,4-dimethyl-N-[2-(5-methylfuran-2-yl)ethyl]-1H-pyrrole-3-carboxamide
CID 90651281
[1-[[2-(5-methylfuran-2-yl)ethylamino]methyl]cyclobutyl]methanol
CID 115247111
1-(hydroxymethyl)-N-[2-(5-methylfuran-2-yl)ethyl]cyclopropane-1-carboxamide
CID 115182418

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methylfuran-2-yl)ethylamino]propan-2-one?
The IUPAC name of 1-[2-(5-methylfuran-2-yl)ethylamino]propan-2-one (CID 115235079) is 1-[2-(5-methylfuran-2-yl)ethylamino]propan-2-one.
What is the SMILES notation for 1-[2-(5-methylfuran-2-yl)ethylamino]propan-2-one?
The canonical SMILES for 1-[2-(5-methylfuran-2-yl)ethylamino]propan-2-one is CC(=O)CNCCc1ccc(C)o1.
What is the InChIKey of 1-[2-(5-methylfuran-2-yl)ethylamino]propan-2-one?
The InChIKey is RWVIVWVBXGRYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-8(12)7-11-6-5-10-4-3-9(2)13-10/h3-4,11H,5-7H2,1-2H3.
What are the key properties of 1-[2-(5-methylfuran-2-yl)ethylamino]propan-2-one?
1-[2-(5-methylfuran-2-yl)ethylamino]propan-2-one has a molecular weight of 181.23 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methylfuran-2-yl)ethylamino]propan-2-one is sourced from PubChem (CID 115235079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).