N'-hydroxy-4-methoxy-1H-indole-3-carboximidamide

C10H11N3O2 — CID 135742376

IUPACN'-hydroxy-4-methoxy-1H-indole-3-carboximidamide
SMILESCOc1cccc2[nH]cc(/C(N)=N\O)c12
InChIInChI=1S/C10H11N3O2/c1-15-8-4-2-3-7-9(8)6(5-12-7)10(11)13-14/h2-5,12,14H,1H3,(H2,11,13)
InChIKeyOOTQHCLCBNLXNJ-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.27
Rot. Bonds2

About N'-hydroxy-4-methoxy-1H-indole-3-carboximidamide

N'-hydroxy-4-methoxy-1H-indole-3-carboximidamide (PubChem CID 135742376) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is N'-hydroxy-4-methoxy-1H-indole-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-methoxy-1H-indole-3-carboximidamide
PubChem CID135742376
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC NameN'-hydroxy-4-methoxy-1H-indole-3-carboximidamide
SMILESCOc1cccc2[nH]cc(/C(N)=N\O)c12
InChIInChI=1S/C10H11N3O2/c1-15-8-4-2-3-7-9(8)6(5-12-7)10(11)13-14/h2-5,12,14H,1H3,(H2,11,13)
InChIKeyOOTQHCLCBNLXNJ-UHFFFAOYSA-N
XLogP1.27
TPSA83.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.27
H-Bond Donors ≤ 53
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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Related Compounds

(3E)-N-hydroxy-4-methoxy-1H-indole-3-carboximidoyl chloride
CID 137028256
methyl 2-(4-methoxy-1H-indol-3-yl)-2-oxoacetate
CID 53419524
2-(4-methoxy-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide
CID 166169676
1-(4-methoxy-1H-indol-3-yl)butan-1-one
CID 83163491
(4-methoxy-1H-indol-3-yl)-(4-methylphenyl)methanone
CID 83163567
(E)-3-(4-methoxy-1H-indol-3-yl)but-2-enoic acid
CID 82277542
(2-amino-5-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83166276
2-(4-fluorophenyl)-1-(4-methoxy-1H-indol-3-yl)ethanone
CID 83164264
(4-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83162948
3-fluoro-4-methoxy-1H-indole
CID 162696038
2-[2-(4-methoxy-1H-indol-3-yl)-2-oxoethoxy]acetic acid
CID 83162648
(3,5-difluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83164240

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-methoxy-1H-indole-3-carboximidamide?
The IUPAC name of N'-hydroxy-4-methoxy-1H-indole-3-carboximidamide (CID 135742376) is N'-hydroxy-4-methoxy-1H-indole-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-methoxy-1H-indole-3-carboximidamide?
The canonical SMILES for N'-hydroxy-4-methoxy-1H-indole-3-carboximidamide is COc1cccc2[nH]cc(/C(N)=N\O)c12.
What is the InChIKey of N'-hydroxy-4-methoxy-1H-indole-3-carboximidamide?
The InChIKey is OOTQHCLCBNLXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-15-8-4-2-3-7-9(8)6(5-12-7)10(11)13-14/h2-5,12,14H,1H3,(H2,11,13).
What are the key properties of N'-hydroxy-4-methoxy-1H-indole-3-carboximidamide?
N'-hydroxy-4-methoxy-1H-indole-3-carboximidamide has a molecular weight of 205.22 g/mol, XLogP of 1.27, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-methoxy-1H-indole-3-carboximidamide is sourced from PubChem (CID 135742376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).