4-[2-(1H-indol-3-yl)ethanimidoyl]benzene-1,3-diol

C16H14N2O2 — CID 135824845

IUPAC4-[2-(1H-indol-3-yl)ethanimidoyl]benzene-1,3-diol
SMILES[H]/N=C(/Cc1c[nH]c2ccccc12)c1ccc(O)cc1O
InChIInChI=1S/C16H14N2O2/c17-14(13-6-5-11(19)8-16(13)20)7-10-9-18-15-4-2-1-3-12(10)15/h1-6,8-9,17-20H,7H2/b17-14-
InChIKeyMUVNLAXJZRJURA-VKAVYKQESA-N
MW266.30 g/mol
LogP3.19
Rot. Bonds3

About 4-[2-(1H-indol-3-yl)ethanimidoyl]benzene-1,3-diol

4-[2-(1H-indol-3-yl)ethanimidoyl]benzene-1,3-diol (PubChem CID 135824845) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-[2-(1H-indol-3-yl)ethanimidoyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[2-(1H-indol-3-yl)ethanimidoyl]benzene-1,3-diol
PubChem CID135824845
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name4-[2-(1H-indol-3-yl)ethanimidoyl]benzene-1,3-diol
SMILES[H]/N=C(/Cc1c[nH]c2ccccc12)c1ccc(O)cc1O
InChIInChI=1S/C16H14N2O2/c17-14(13-6-5-11(19)8-16(13)20)7-10-9-18-15-4-2-1-3-12(10)15/h1-6,8-9,17-20H,7H2/b17-14-
InChIKeyMUVNLAXJZRJURA-VKAVYKQESA-N
XLogP3.19
TPSA80.10 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(1H-indol-3-yl)ethanimidate
CID 3261311
CID 135044640
CID 135044640
bis(3-(1H-indol-3-yl)-2-oxopropanoate);lead(2+)
CID 87710054
1-(1H-indol-3-yl)propan-2-ylidene-dimethylazanium
CID 164561468
3-(2-iminoethyl)-1H-indol-5-ol
CID 54393064
2-(1H-indol-3-ylmethyl)prop-2-enoic acid
CID 10081533
1-cyclopentyl-2-(1H-indol-3-yl)ethanone
CID 126509630
3-[(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol
CID 15949127
CID 87710053
CID 87710053
3-[(2-hydroxyphenoxy)methyl]-1H-indol-5-ol
CID 117175071
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
2-(1H-indol-3-yl)ethane-1,1-diol
CID 21400411

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-indol-3-yl)ethanimidoyl]benzene-1,3-diol?
The IUPAC name of 4-[2-(1H-indol-3-yl)ethanimidoyl]benzene-1,3-diol (CID 135824845) is 4-[2-(1H-indol-3-yl)ethanimidoyl]benzene-1,3-diol.
What is the SMILES notation for 4-[2-(1H-indol-3-yl)ethanimidoyl]benzene-1,3-diol?
The canonical SMILES for 4-[2-(1H-indol-3-yl)ethanimidoyl]benzene-1,3-diol is [H]/N=C(/Cc1c[nH]c2ccccc12)c1ccc(O)cc1O.
What is the InChIKey of 4-[2-(1H-indol-3-yl)ethanimidoyl]benzene-1,3-diol?
The InChIKey is MUVNLAXJZRJURA-VKAVYKQESA-N. The full InChI is InChI=1S/C16H14N2O2/c17-14(13-6-5-11(19)8-16(13)20)7-10-9-18-15-4-2-1-3-12(10)15/h1-6,8-9,17-20H,7H2/b17-14-.
What are the key properties of 4-[2-(1H-indol-3-yl)ethanimidoyl]benzene-1,3-diol?
4-[2-(1H-indol-3-yl)ethanimidoyl]benzene-1,3-diol has a molecular weight of 266.30 g/mol, XLogP of 3.19, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-indol-3-yl)ethanimidoyl]benzene-1,3-diol is sourced from PubChem (CID 135824845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).