1-(5-amino-3-methoxyfuran-2-yl)ethanone

C7H9NO3 — CID 96635196

IUPAC1-(5-amino-3-methoxyfuran-2-yl)ethanone
SMILESCOc1cc(N)oc1C(C)=O
InChIInChI=1S/C7H9NO3/c1-4(9)7-5(10-2)3-6(8)11-7/h3H,8H2,1-2H3
InChIKeyBYJZAPRMFYSBOM-UHFFFAOYSA-N
MW155.15 g/mol
LogP1.07
Rot. Bonds2

About 1-(5-amino-3-methoxyfuran-2-yl)ethanone

1-(5-amino-3-methoxyfuran-2-yl)ethanone (PubChem CID 96635196) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 1-(5-amino-3-methoxyfuran-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-amino-3-methoxyfuran-2-yl)ethanone
PubChem CID96635196
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name1-(5-amino-3-methoxyfuran-2-yl)ethanone
SMILESCOc1cc(N)oc1C(C)=O
InChIInChI=1S/C7H9NO3/c1-4(9)7-5(10-2)3-6(8)11-7/h3H,8H2,1-2H3
InChIKeyBYJZAPRMFYSBOM-UHFFFAOYSA-N
XLogP1.07
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-amino-4,5-dimethoxyphenyl)ethanone;hydrobromide
CID 172866698
1-(4-amino-3-methoxy-5-methylphenyl)ethanone
CID 54447839
1-(3-methoxyfuran-2-yl)ethanone
CID 23271201
1-(3,5-dimethoxy-4-methylphenyl)ethanone
CID 20697318
1-(4-amino-2-hydroxy-5-methoxyphenyl)ethanone
CID 131302310
1-(4-amino-2-chloro-5-methoxyphenyl)ethanone
CID 53402810
1-(2-amino-5-bromo-3-methoxyphenyl)ethanone
CID 118922526
1-(5-amino-2,3-dimethoxyphenyl)ethanone
CID 142498186
1-(4-bromo-3-methoxy-5-methylphenyl)ethanone
CID 84801903
1-(4-methoxy-1-benzofuran-2-yl)ethanone
CID 3042306
1-[5-[3-chloro-1-(2-methylpropyl)pyrrol-2-yl]-3-methoxyfuran-2-yl]ethanone
CID 126653047
1-(5-amino-2-fluoro-3-methoxyphenyl)ethanone
CID 171018480

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-3-methoxyfuran-2-yl)ethanone?
The IUPAC name of 1-(5-amino-3-methoxyfuran-2-yl)ethanone (CID 96635196) is 1-(5-amino-3-methoxyfuran-2-yl)ethanone.
What is the SMILES notation for 1-(5-amino-3-methoxyfuran-2-yl)ethanone?
The canonical SMILES for 1-(5-amino-3-methoxyfuran-2-yl)ethanone is COc1cc(N)oc1C(C)=O.
What is the InChIKey of 1-(5-amino-3-methoxyfuran-2-yl)ethanone?
The InChIKey is BYJZAPRMFYSBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-4(9)7-5(10-2)3-6(8)11-7/h3H,8H2,1-2H3.
What are the key properties of 1-(5-amino-3-methoxyfuran-2-yl)ethanone?
1-(5-amino-3-methoxyfuran-2-yl)ethanone has a molecular weight of 155.15 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-3-methoxyfuran-2-yl)ethanone is sourced from PubChem (CID 96635196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).