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

C10H15NO2 — CID 116562918

IUPAC1-(furan-3-yl)-3-(propylamino)propan-2-one
SMILESCCCNCC(=O)Cc1ccoc1
InChIInChI=1S/C10H15NO2/c1-2-4-11-7-10(12)6-9-3-5-13-8-9/h3,5,8,11H,2,4,6-7H2,1H3
InChIKeyYIXWTBKBYHSNOK-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.39
Rot. Bonds6

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

1-(furan-3-yl)-3-(propylamino)propan-2-one (PubChem CID 116562918) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-(furan-3-yl)-3-(propylamino)propan-2-one.

Molecular Properties

Compound Name1-(furan-3-yl)-3-(propylamino)propan-2-one
PubChem CID116562918
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name1-(furan-3-yl)-3-(propylamino)propan-2-one
SMILESCCCNCC(=O)Cc1ccoc1
InChIInChI=1S/C10H15NO2/c1-2-4-11-7-10(12)6-9-3-5-13-8-9/h3,5,8,11H,2,4,6-7H2,1H3
InChIKeyYIXWTBKBYHSNOK-UHFFFAOYSA-N
XLogP1.39
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(furan-3-yl)-3-(propylamino)propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-amino-4-pyridinyl)-3-(propylamino)propan-2-one
CID 116562828
N-(furan-3-ylmethyl)-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine
CID 103069682
4-amino-1-(furan-3-yl)pentan-2-one
CID 116555995
1-cyclobutyl-3-(furan-3-yl)propan-2-one
CID 103168049
1-(3-fluoro-4-methoxyphenyl)-3-(propylamino)propan-2-one
CID 116562712
1-(3-bromo-4-methoxyphenyl)-3-(propylamino)propan-2-one
CID 116562954
1-(5-ethyl-2-pyridinyl)-3-(propylamino)propan-2-one
CID 116562736
1-cyclohexyl-3-(furan-3-yl)propan-2-one
CID 115795908
N-(3-ethyl-4-methylphenyl)-2-(furan-3-yl)acetamide
CID 136532473
1-[1-(furan-3-yl)propan-2-yl]-3-propylurea
CID 121127163
2-(furan-3-ylmethylamino)acetic acid
CID 63204531
ethyl 3-(furan-3-yl)-2-oxopropanoate
CID 54299973

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-3-(propylamino)propan-2-one?
The IUPAC name of 1-(furan-3-yl)-3-(propylamino)propan-2-one (CID 116562918) is 1-(furan-3-yl)-3-(propylamino)propan-2-one.
What is the SMILES notation for 1-(furan-3-yl)-3-(propylamino)propan-2-one?
The canonical SMILES for 1-(furan-3-yl)-3-(propylamino)propan-2-one is CCCNCC(=O)Cc1ccoc1.
What is the InChIKey of 1-(furan-3-yl)-3-(propylamino)propan-2-one?
The InChIKey is YIXWTBKBYHSNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-2-4-11-7-10(12)6-9-3-5-13-8-9/h3,5,8,11H,2,4,6-7H2,1H3.
What are the key properties of 1-(furan-3-yl)-3-(propylamino)propan-2-one?
1-(furan-3-yl)-3-(propylamino)propan-2-one has a molecular weight of 181.24 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-3-(propylamino)propan-2-one is sourced from PubChem (CID 116562918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).