N'-hydroxy-1-methylindole-7-carboximidamide

C10H11N3O — CID 154251912

IUPACN'-hydroxy-1-methylindole-7-carboximidamide
SMILESCn1ccc2cccc(C(N)=NO)c21
InChIInChI=1S/C10H11N3O/c1-13-6-5-7-3-2-4-8(9(7)13)10(11)12-14/h2-6,14H,1H3,(H2,11,12)
InChIKeyRDFRFUDIVCXXRM-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.27
Rot. Bonds1

About N'-hydroxy-1-methylindole-7-carboximidamide

N'-hydroxy-1-methylindole-7-carboximidamide (PubChem CID 154251912) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is N'-hydroxy-1-methylindole-7-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-methylindole-7-carboximidamide
PubChem CID154251912
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC NameN'-hydroxy-1-methylindole-7-carboximidamide
SMILESCn1ccc2cccc(C(N)=NO)c21
InChIInChI=1S/C10H11N3O/c1-13-6-5-7-3-2-4-8(9(7)13)10(11)12-14/h2-6,14H,1H3,(H2,11,12)
InChIKeyRDFRFUDIVCXXRM-UHFFFAOYSA-N
XLogP1.27
TPSA63.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-methylindole-7-carboximidamide?
The IUPAC name of N'-hydroxy-1-methylindole-7-carboximidamide (CID 154251912) is N'-hydroxy-1-methylindole-7-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-methylindole-7-carboximidamide?
The canonical SMILES for N'-hydroxy-1-methylindole-7-carboximidamide is Cn1ccc2cccc(C(N)=NO)c21.
What is the InChIKey of N'-hydroxy-1-methylindole-7-carboximidamide?
The InChIKey is RDFRFUDIVCXXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-13-6-5-7-3-2-4-8(9(7)13)10(11)12-14/h2-6,14H,1H3,(H2,11,12).
What are the key properties of N'-hydroxy-1-methylindole-7-carboximidamide?
N'-hydroxy-1-methylindole-7-carboximidamide has a molecular weight of 189.22 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-methylindole-7-carboximidamide is sourced from PubChem (CID 154251912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).