1-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]guanidine

C10H11N5O2 — CID 4113700

IUPAC1-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]guanidine
SMILES[H]/N=C(N)/N=N/c1c(O)[nH]c2ccc(OC)cc12
InChIInChI=1S/C10H11N5O2/c1-17-5-2-3-7-6(4-5)8(9(16)13-7)14-15-10(11)12/h2-4,13,16H,1H3,(H3,11,12)/b15-14+
InChIKeyAQGNCVVRLICTLW-CCEZHUSRSA-N
MW233.23 g/mol
LogP1.86
Rot. Bonds2

About 1-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]guanidine

1-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]guanidine (PubChem CID 4113700) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is 1-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]guanidine.

Molecular Properties

Compound Name1-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]guanidine
PubChem CID4113700
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name1-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]guanidine
SMILES[H]/N=C(N)/N=N/c1c(O)[nH]c2ccc(OC)cc12
InChIInChI=1S/C10H11N5O2/c1-17-5-2-3-7-6(4-5)8(9(16)13-7)14-15-10(11)12/h2-4,13,16H,1H3,(H3,11,12)/b15-14+
InChIKeyAQGNCVVRLICTLW-CCEZHUSRSA-N
XLogP1.86
TPSA119.84 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.86
H-Bond Donors ≤ 54
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-5-methoxy-1H-indol-3-yl)imino]guanidine?
The IUPAC name of 1-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]guanidine (CID 4113700) is 1-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]guanidine.
What is the SMILES notation for 1-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]guanidine?
The canonical SMILES for 1-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]guanidine is [H]/N=C(N)/N=N/c1c(O)[nH]c2ccc(OC)cc12.
What is the InChIKey of 1-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]guanidine?
The InChIKey is AQGNCVVRLICTLW-CCEZHUSRSA-N. The full InChI is InChI=1S/C10H11N5O2/c1-17-5-2-3-7-6(4-5)8(9(16)13-7)14-15-10(11)12/h2-4,13,16H,1H3,(H3,11,12)/b15-14+.
What are the key properties of 1-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]guanidine?
1-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]guanidine has a molecular weight of 233.23 g/mol, XLogP of 1.86, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]guanidine is sourced from PubChem (CID 4113700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).