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

C9H13NO2 — CID 67303302

IUPAC3-(ethylamino)-1-(furan-2-yl)propan-1-one
SMILESCCNCCC(=O)c1ccco1
InChIInChI=1S/C9H13NO2/c1-2-10-6-5-8(11)9-4-3-7-12-9/h3-4,7,10H,2,5-6H2,1H3
InChIKeyZIRAYRJWCCANBW-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.46
Rot. Bonds5

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

3-(ethylamino)-1-(furan-2-yl)propan-1-one (PubChem CID 67303302) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-(ethylamino)-1-(furan-2-yl)propan-1-one.

Molecular Properties

Compound Name3-(ethylamino)-1-(furan-2-yl)propan-1-one
PubChem CID67303302
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name3-(ethylamino)-1-(furan-2-yl)propan-1-one
SMILESCCNCCC(=O)c1ccco1
InChIInChI=1S/C9H13NO2/c1-2-10-6-5-8(11)9-4-3-7-12-9/h3-4,7,10H,2,5-6H2,1H3
InChIKeyZIRAYRJWCCANBW-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'}

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Related Compounds

1-(furan-2-yl)-3-[(2-hydroxy-3,3-dimethylbutyl)amino]propan-1-one
CID 70926804
1-(furan-2-yl)-2-(propylamino)ethanone
CID 14188381
N-[3-(ethylamino)propyl]furan-2-carboxamide
CID 43601657
1-(furan-2-yl)-3-[(2-hydroxy-2-phenylethyl)amino]propan-1-one
CID 70926976
1-(furan-2-yl)undecan-1-one
CID 15721327
N-butyl-4-(furan-2-yl)-4-oxobutanamide
CID 110389809
tert-butyl N-[3-(furan-2-yl)-3-oxopropyl]carbamate
CID 165467897
1-(furan-2-yl)-3-[(4-hydroxy-2-methylbutan-2-yl)amino]propan-1-one
CID 70926778
1-(furan-2-yl)-3-[(2-methyl-1-phenylpropyl)amino]propan-1-one
CID 70926690
ethane;1-(furan-2-yl)butane-1,3-dione
CID 145463409
4-ethoxy-1-(furan-2-yl)butan-1-one
CID 105099293
3-(ethylamino)-N-[2-(furan-2-yl)ethyl]propanamide
CID 62831565

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-1-(furan-2-yl)propan-1-one?
The IUPAC name of 3-(ethylamino)-1-(furan-2-yl)propan-1-one (CID 67303302) is 3-(ethylamino)-1-(furan-2-yl)propan-1-one.
What is the SMILES notation for 3-(ethylamino)-1-(furan-2-yl)propan-1-one?
The canonical SMILES for 3-(ethylamino)-1-(furan-2-yl)propan-1-one is CCNCCC(=O)c1ccco1.
What is the InChIKey of 3-(ethylamino)-1-(furan-2-yl)propan-1-one?
The InChIKey is ZIRAYRJWCCANBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-2-10-6-5-8(11)9-4-3-7-12-9/h3-4,7,10H,2,5-6H2,1H3.
What are the key properties of 3-(ethylamino)-1-(furan-2-yl)propan-1-one?
3-(ethylamino)-1-(furan-2-yl)propan-1-one 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 3-(ethylamino)-1-(furan-2-yl)propan-1-one is sourced from PubChem (CID 67303302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).