3-(2-iminoethyl)-1H-indol-5-ol

C10H10N2O — CID 54393064

IUPAC3-(2-iminoethyl)-1H-indol-5-ol
SMILES[H]/N=C/Cc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C10H10N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,4-6,11-13H,3H2/b11-4+
InChIKeyVIAKTQBKCHIEET-NYYWCZLTSA-N
MW174.20 g/mol
LogP2.07
Rot. Bonds2

About 3-(2-iminoethyl)-1H-indol-5-ol

3-(2-iminoethyl)-1H-indol-5-ol (PubChem CID 54393064) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 3-(2-iminoethyl)-1H-indol-5-ol.

Molecular Properties

Compound Name3-(2-iminoethyl)-1H-indol-5-ol
PubChem CID54393064
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name3-(2-iminoethyl)-1H-indol-5-ol
SMILES[H]/N=C/Cc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C10H10N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,4-6,11-13H,3H2/b11-4+
InChIKeyVIAKTQBKCHIEET-NYYWCZLTSA-N
XLogP2.07
TPSA59.87 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-prop-2-enyl-1H-indol-5-ol
CID 24746176
3-[(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol
CID 15949127
3-propyl-1H-indol-5-ol
CID 15366338
3-[(5-bromo-1H-indol-3-yl)methyl]-1H-indol-5-ol
CID 164522928
3-(2-amino-1,2-ditritioethyl)-1H-indol-5-ol
CID 53317992
3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;hydrobromide
CID 171764243
3-(5-hydroxy-1H-indol-3-yl)propanoic acid;hydrochloride
CID 142678890
3,6-bis[(5-hydroxy-1H-indol-3-yl)methyl]piperazine-2,5-dione
CID 71317607
3-(2-aminoethyl)-1H-indol-5-ol;sulfamide
CID 67549652
3-[(2-hydroxyphenoxy)methyl]-1H-indol-5-ol
CID 117175071
3-(2,3-dimethylbut-3-enyl)-1H-indol-5-ol
CID 123400921
3-(piperazin-1-ylmethyl)-1H-indol-5-ol
CID 117174988

Frequently Asked Questions

What is the IUPAC name of 3-(2-iminoethyl)-1H-indol-5-ol?
The IUPAC name of 3-(2-iminoethyl)-1H-indol-5-ol (CID 54393064) is 3-(2-iminoethyl)-1H-indol-5-ol.
What is the SMILES notation for 3-(2-iminoethyl)-1H-indol-5-ol?
The canonical SMILES for 3-(2-iminoethyl)-1H-indol-5-ol is [H]/N=C/Cc1c[nH]c2ccc(O)cc12.
What is the InChIKey of 3-(2-iminoethyl)-1H-indol-5-ol?
The InChIKey is VIAKTQBKCHIEET-NYYWCZLTSA-N. The full InChI is InChI=1S/C10H10N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,4-6,11-13H,3H2/b11-4+.
What are the key properties of 3-(2-iminoethyl)-1H-indol-5-ol?
3-(2-iminoethyl)-1H-indol-5-ol has a molecular weight of 174.20 g/mol, XLogP of 2.07, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-iminoethyl)-1H-indol-5-ol is sourced from PubChem (CID 54393064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).