1-(furan-2-yl)-2-(propylamino)ethanone

C9H13NO2 — CID 14188381

IUPAC1-(furan-2-yl)-2-(propylamino)ethanone
SMILESCCCNCC(=O)c1ccco1
InChIInChI=1S/C9H13NO2/c1-2-5-10-7-8(11)9-4-3-6-12-9/h3-4,6,10H,2,5,7H2,1H3
InChIKeyXDCZFJUVTFRNHU-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.46
Rot. Bonds5

About 1-(furan-2-yl)-2-(propylamino)ethanone

1-(furan-2-yl)-2-(propylamino)ethanone (PubChem CID 14188381) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-(propylamino)ethanone.

Molecular Properties

Compound Name1-(furan-2-yl)-2-(propylamino)ethanone
PubChem CID14188381
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name1-(furan-2-yl)-2-(propylamino)ethanone
SMILESCCCNCC(=O)c1ccco1
InChIInChI=1S/C9H13NO2/c1-2-5-10-7-8(11)9-4-3-6-12-9/h3-4,6,10H,2,5,7H2,1H3
InChIKeyXDCZFJUVTFRNHU-UHFFFAOYSA-N
XLogP1.46
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(furan-2-yl)-2-(propylamino)ethanone 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-(furan-2-yl)-2-(prop-2-ynylamino)ethanone
CID 116589590
3-(ethylamino)-1-(furan-2-yl)propan-1-one
CID 67303302
2-chloro-N-[2-(furan-2-yl)-2-oxoethyl]acetamide
CID 66568971
ethane;1-(furan-2-yl)butane-1,3-dione
CID 145463409
1-(furan-2-yl)undecan-1-one
CID 15721327
[3-(furan-2-yl)-3-oxopropanoyl] pentanoate
CID 142062801
N-butyl-4-(furan-2-yl)-4-oxobutanamide
CID 110389809
calcium;1-(furan-2-yl)butane-1,3-dione;hydride
CID 173386868
ethyl 3-(furan-2-yl)-3-oxopropanoate
CID 2759240
1-(furan-2-yl)-4-methylpentane-1,3-dione
CID 62875308
4-fluoro-1-(furan-2-yl)-4-methylpentane-1,3-dione
CID 90929550
1-(furan-2-yl)-2-[[(3S)-pyrrolidin-3-yl]methylamino]ethanone
CID 97165702

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-(propylamino)ethanone?
The IUPAC name of 1-(furan-2-yl)-2-(propylamino)ethanone (CID 14188381) is 1-(furan-2-yl)-2-(propylamino)ethanone.
What is the SMILES notation for 1-(furan-2-yl)-2-(propylamino)ethanone?
The canonical SMILES for 1-(furan-2-yl)-2-(propylamino)ethanone is CCCNCC(=O)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-2-(propylamino)ethanone?
The InChIKey is XDCZFJUVTFRNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-2-5-10-7-8(11)9-4-3-6-12-9/h3-4,6,10H,2,5,7H2,1H3.
What are the key properties of 1-(furan-2-yl)-2-(propylamino)ethanone?
1-(furan-2-yl)-2-(propylamino)ethanone has a molecular weight of 167.21 g/mol, XLogP of 1.46, 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)-2-(propylamino)ethanone is sourced from PubChem (CID 14188381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).