1-[2-(2,5-diaminophenyl)furan-3-yl]ethanone

C12H12N2O2 — CID 18798921

IUPAC1-[2-(2,5-diaminophenyl)furan-3-yl]ethanone
SMILESCC(=O)c1ccoc1-c1cc(N)ccc1N
InChIInChI=1S/C12H12N2O2/c1-7(15)9-4-5-16-12(9)10-6-8(13)2-3-11(10)14/h2-6H,13-14H2,1H3
InChIKeyHEZZLUPROBTXIK-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.31
Rot. Bonds2

About 1-[2-(2,5-diaminophenyl)furan-3-yl]ethanone

1-[2-(2,5-diaminophenyl)furan-3-yl]ethanone (PubChem CID 18798921) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-[2-(2,5-diaminophenyl)furan-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2,5-diaminophenyl)furan-3-yl]ethanone
PubChem CID18798921
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name1-[2-(2,5-diaminophenyl)furan-3-yl]ethanone
SMILESCC(=O)c1ccoc1-c1cc(N)ccc1N
InChIInChI=1S/C12H12N2O2/c1-7(15)9-4-5-16-12(9)10-6-8(13)2-3-11(10)14/h2-6H,13-14H2,1H3
InChIKeyHEZZLUPROBTXIK-UHFFFAOYSA-N
XLogP2.31
TPSA82.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-diaminophenyl)furan-3-yl]ethanone?
The IUPAC name of 1-[2-(2,5-diaminophenyl)furan-3-yl]ethanone (CID 18798921) is 1-[2-(2,5-diaminophenyl)furan-3-yl]ethanone.
What is the SMILES notation for 1-[2-(2,5-diaminophenyl)furan-3-yl]ethanone?
The canonical SMILES for 1-[2-(2,5-diaminophenyl)furan-3-yl]ethanone is CC(=O)c1ccoc1-c1cc(N)ccc1N.
What is the InChIKey of 1-[2-(2,5-diaminophenyl)furan-3-yl]ethanone?
The InChIKey is HEZZLUPROBTXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-7(15)9-4-5-16-12(9)10-6-8(13)2-3-11(10)14/h2-6H,13-14H2,1H3.
What are the key properties of 1-[2-(2,5-diaminophenyl)furan-3-yl]ethanone?
1-[2-(2,5-diaminophenyl)furan-3-yl]ethanone has a molecular weight of 216.24 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-diaminophenyl)furan-3-yl]ethanone is sourced from PubChem (CID 18798921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).