3-butanimidoyl-1-benzofuran-2-ol

C12H13NO2 — CID 176914526

IUPAC3-butanimidoyl-1-benzofuran-2-ol
SMILES[H]/N=C(\CCC)c1c(O)oc2ccccc12
InChIInChI=1S/C12H13NO2/c1-2-5-9(13)11-8-6-3-4-7-10(8)15-12(11)14/h3-4,6-7,13-14H,2,5H2,1H3/b13-9+
InChIKeyARLWJWRXTVCDDD-UKTHLTGXSA-N
MW203.24 g/mol
LogP3.31
Rot. Bonds3

About 3-butanimidoyl-1-benzofuran-2-ol

3-butanimidoyl-1-benzofuran-2-ol (PubChem CID 176914526) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-butanimidoyl-1-benzofuran-2-ol.

Molecular Properties

Compound Name3-butanimidoyl-1-benzofuran-2-ol
PubChem CID176914526
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name3-butanimidoyl-1-benzofuran-2-ol
SMILES[H]/N=C(\CCC)c1c(O)oc2ccccc12
InChIInChI=1S/C12H13NO2/c1-2-5-9(13)11-8-6-3-4-7-10(8)15-12(11)14/h3-4,6-7,13-14H,2,5H2,1H3/b13-9+
InChIKeyARLWJWRXTVCDDD-UKTHLTGXSA-N
XLogP3.31
TPSA57.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(2-methyl-1-benzofuran-3-yl)butan-1-one
CID 139824146
3-[2-(furan-2-yl)ethanimidoyl]-1-benzofuran-2,5-diol
CID 135932451
1-benzofuran-2,3-diol
CID 22994886
dibenzofuran;ethanol
CID 174821059
(4-bromophenyl)-(2-hydroxy-1-benzofuran-3-yl)methanone
CID 137124147
1-pyridin-4-ylbutan-1-imine
CID 59020939
2-(2-ethyl-5-hydroxyphenyl)-1-benzofuran-3-carboxamide
CID 174959958
[3-(aminomethyl)phenyl]-(2-hydroxy-1-benzofuran-3-yl)methanone
CID 172732812
bis(2-hexyl-1-benzofuran-3-yl)methanone
CID 102288992
2-(2-propoxyethoxymethyl)-1-benzofuran-3-carboxylic acid
CID 63686877
3-dodecanoyl-4-hydroxychromen-2-one
CID 54695440
2-ethyl-N'-hydroxy-1-benzofuran-3-carboximidamide
CID 57368784

Frequently Asked Questions

What is the IUPAC name of 3-butanimidoyl-1-benzofuran-2-ol?
The IUPAC name of 3-butanimidoyl-1-benzofuran-2-ol (CID 176914526) is 3-butanimidoyl-1-benzofuran-2-ol.
What is the SMILES notation for 3-butanimidoyl-1-benzofuran-2-ol?
The canonical SMILES for 3-butanimidoyl-1-benzofuran-2-ol is [H]/N=C(\CCC)c1c(O)oc2ccccc12.
What is the InChIKey of 3-butanimidoyl-1-benzofuran-2-ol?
The InChIKey is ARLWJWRXTVCDDD-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H13NO2/c1-2-5-9(13)11-8-6-3-4-7-10(8)15-12(11)14/h3-4,6-7,13-14H,2,5H2,1H3/b13-9+.
What are the key properties of 3-butanimidoyl-1-benzofuran-2-ol?
3-butanimidoyl-1-benzofuran-2-ol has a molecular weight of 203.24 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butanimidoyl-1-benzofuran-2-ol is sourced from PubChem (CID 176914526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).