(2-hydroxy-7-methyl-1H-indol-3-yl)iminourea

C10H10N4O2 — CID 788841

IUPAC(2-hydroxy-7-methyl-1H-indol-3-yl)iminourea
SMILESCc1cccc2c(/N=N/C(N)=O)c(O)[nH]c12
InChIInChI=1S/C10H10N4O2/c1-5-3-2-4-6-7(5)12-9(15)8(6)13-14-10(11)16/h2-4,12,15H,1H3,(H2,11,16)/b14-13+
InChIKeyZSFXBAQGGPBMNJ-BUHFOSPRSA-N
MW218.22 g/mol
LogP2.34
Rot. Bonds1

About (2-hydroxy-7-methyl-1H-indol-3-yl)iminourea

(2-hydroxy-7-methyl-1H-indol-3-yl)iminourea (PubChem CID 788841) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is (2-hydroxy-7-methyl-1H-indol-3-yl)iminourea.

Molecular Properties

Compound Name(2-hydroxy-7-methyl-1H-indol-3-yl)iminourea
PubChem CID788841
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name(2-hydroxy-7-methyl-1H-indol-3-yl)iminourea
SMILESCc1cccc2c(/N=N/C(N)=O)c(O)[nH]c12
InChIInChI=1S/C10H10N4O2/c1-5-3-2-4-6-7(5)12-9(15)8(6)13-14-10(11)16/h2-4,12,15H,1H3,(H2,11,16)/b14-13+
InChIKeyZSFXBAQGGPBMNJ-BUHFOSPRSA-N
XLogP2.34
TPSA103.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-7-methyl-1H-indol-3-yl)iminourea?
The IUPAC name of (2-hydroxy-7-methyl-1H-indol-3-yl)iminourea (CID 788841) is (2-hydroxy-7-methyl-1H-indol-3-yl)iminourea.
What is the SMILES notation for (2-hydroxy-7-methyl-1H-indol-3-yl)iminourea?
The canonical SMILES for (2-hydroxy-7-methyl-1H-indol-3-yl)iminourea is Cc1cccc2c(/N=N/C(N)=O)c(O)[nH]c12.
What is the InChIKey of (2-hydroxy-7-methyl-1H-indol-3-yl)iminourea?
The InChIKey is ZSFXBAQGGPBMNJ-BUHFOSPRSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-5-3-2-4-6-7(5)12-9(15)8(6)13-14-10(11)16/h2-4,12,15H,1H3,(H2,11,16)/b14-13+.
What are the key properties of (2-hydroxy-7-methyl-1H-indol-3-yl)iminourea?
(2-hydroxy-7-methyl-1H-indol-3-yl)iminourea has a molecular weight of 218.22 g/mol, XLogP of 2.34, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-7-methyl-1H-indol-3-yl)iminourea is sourced from PubChem (CID 788841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).