1-(2-hydroxy-1-methylindol-3-yl)iminoguanidine

C10H11N5O — CID 3101791

IUPAC1-(2-hydroxy-1-methylindol-3-yl)iminoguanidine
SMILES[H]/N=C(N)/N=N/c1c(O)n(C)c2ccccc12
InChIInChI=1S/C10H11N5O/c1-15-7-5-3-2-4-6(7)8(9(15)16)13-14-10(11)12/h2-5,16H,1H3,(H3,11,12)/b14-13+
InChIKeyRAZLBYAEHWRXGG-BUHFOSPRSA-N
MW217.23 g/mol
LogP1.86
Rot. Bonds1

About 1-(2-hydroxy-1-methylindol-3-yl)iminoguanidine

1-(2-hydroxy-1-methylindol-3-yl)iminoguanidine (PubChem CID 3101791) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is 1-(2-hydroxy-1-methylindol-3-yl)iminoguanidine.

Molecular Properties

Compound Name1-(2-hydroxy-1-methylindol-3-yl)iminoguanidine
PubChem CID3101791
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name1-(2-hydroxy-1-methylindol-3-yl)iminoguanidine
SMILES[H]/N=C(N)/N=N/c1c(O)n(C)c2ccccc12
InChIInChI=1S/C10H11N5O/c1-15-7-5-3-2-4-6(7)8(9(15)16)13-14-10(11)12/h2-5,16H,1H3,(H3,11,12)/b14-13+
InChIKeyRAZLBYAEHWRXGG-BUHFOSPRSA-N
XLogP1.86
TPSA99.75 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-1-methylindol-3-yl)iminoguanidine?
The IUPAC name of 1-(2-hydroxy-1-methylindol-3-yl)iminoguanidine (CID 3101791) is 1-(2-hydroxy-1-methylindol-3-yl)iminoguanidine.
What is the SMILES notation for 1-(2-hydroxy-1-methylindol-3-yl)iminoguanidine?
The canonical SMILES for 1-(2-hydroxy-1-methylindol-3-yl)iminoguanidine is [H]/N=C(N)/N=N/c1c(O)n(C)c2ccccc12.
What is the InChIKey of 1-(2-hydroxy-1-methylindol-3-yl)iminoguanidine?
The InChIKey is RAZLBYAEHWRXGG-BUHFOSPRSA-N. The full InChI is InChI=1S/C10H11N5O/c1-15-7-5-3-2-4-6(7)8(9(15)16)13-14-10(11)12/h2-5,16H,1H3,(H3,11,12)/b14-13+.
What are the key properties of 1-(2-hydroxy-1-methylindol-3-yl)iminoguanidine?
1-(2-hydroxy-1-methylindol-3-yl)iminoguanidine has a molecular weight of 217.23 g/mol, XLogP of 1.86, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-1-methylindol-3-yl)iminoguanidine is sourced from PubChem (CID 3101791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).