1-(furan-2-yl)-3-(methylamino)propan-2-one

C8H11NO2 — CID 83635399

IUPAC1-(furan-2-yl)-3-(methylamino)propan-2-one
SMILESCNCC(=O)Cc1ccco1
InChIInChI=1S/C8H11NO2/c1-9-6-7(10)5-8-3-2-4-11-8/h2-4,9H,5-6H2,1H3
InChIKeyDXEPQYHUNBVVNJ-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.61
Rot. Bonds4

About 1-(furan-2-yl)-3-(methylamino)propan-2-one

1-(furan-2-yl)-3-(methylamino)propan-2-one (PubChem CID 83635399) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 1-(furan-2-yl)-3-(methylamino)propan-2-one.

Molecular Properties

Compound Name1-(furan-2-yl)-3-(methylamino)propan-2-one
PubChem CID83635399
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name1-(furan-2-yl)-3-(methylamino)propan-2-one
SMILESCNCC(=O)Cc1ccco1
InChIInChI=1S/C8H11NO2/c1-9-6-7(10)5-8-3-2-4-11-8/h2-4,9H,5-6H2,1H3
InChIKeyDXEPQYHUNBVVNJ-UHFFFAOYSA-N
XLogP0.61
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-yl)-3-(prop-2-ynylamino)propan-2-one
CID 116589494
1-(butan-2-ylamino)-3-(furan-2-yl)propan-2-one
CID 116556195
5-(furan-2-yl)-2,4-dioxopentanoic acid
CID 44591401
furan-2-ylmethyl 2-(methylamino)acetate
CID 70320956
1-(cyclopentylamino)-3-(furan-2-yl)propan-2-one
CID 116559078
1-(furan-2-yl)hexan-2-one
CID 3115857
1-(furan-2-yl)-5-methylhexan-2-one
CID 83172823
N-(furan-2-ylmethyl)-N-methyl-2-(methylamino)acetamide
CID 43396056
1-(furan-2-yl)-6-methylheptan-2-one
CID 123946123
1-(furan-2-yl)-3-(4-methylphenyl)propan-2-one
CID 83172579
N-ethyl-2-(furan-2-yl)acetamide
CID 110484557
N-[4-(furan-2-yl)butan-2-yl]-2-(methylamino)acetamide
CID 61249906

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-3-(methylamino)propan-2-one?
The IUPAC name of 1-(furan-2-yl)-3-(methylamino)propan-2-one (CID 83635399) is 1-(furan-2-yl)-3-(methylamino)propan-2-one.
What is the SMILES notation for 1-(furan-2-yl)-3-(methylamino)propan-2-one?
The canonical SMILES for 1-(furan-2-yl)-3-(methylamino)propan-2-one is CNCC(=O)Cc1ccco1.
What is the InChIKey of 1-(furan-2-yl)-3-(methylamino)propan-2-one?
The InChIKey is DXEPQYHUNBVVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-9-6-7(10)5-8-3-2-4-11-8/h2-4,9H,5-6H2,1H3.
What are the key properties of 1-(furan-2-yl)-3-(methylamino)propan-2-one?
1-(furan-2-yl)-3-(methylamino)propan-2-one has a molecular weight of 153.18 g/mol, XLogP of 0.61, 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)-3-(methylamino)propan-2-one is sourced from PubChem (CID 83635399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).