N'-hydroxy-5-methyl-1H-indole-3-carboximidamide

C10H11N3O — CID 135742377

IUPACN'-hydroxy-5-methyl-1H-indole-3-carboximidamide
SMILESCc1ccc2[nH]cc(C(N)=NO)c2c1
InChIInChI=1S/C10H11N3O/c1-6-2-3-9-7(4-6)8(5-12-9)10(11)13-14/h2-5,12,14H,1H3,(H2,11,13)
InChIKeyUCJXABGGKWKYDB-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.57
Rot. Bonds1

About N'-hydroxy-5-methyl-1H-indole-3-carboximidamide

N'-hydroxy-5-methyl-1H-indole-3-carboximidamide (PubChem CID 135742377) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is N'-hydroxy-5-methyl-1H-indole-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-methyl-1H-indole-3-carboximidamide
PubChem CID135742377
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC NameN'-hydroxy-5-methyl-1H-indole-3-carboximidamide
SMILESCc1ccc2[nH]cc(C(N)=NO)c2c1
InChIInChI=1S/C10H11N3O/c1-6-2-3-9-7(4-6)8(5-12-9)10(11)13-14/h2-5,12,14H,1H3,(H2,11,13)
InChIKeyUCJXABGGKWKYDB-UHFFFAOYSA-N
XLogP1.57
TPSA74.40 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

5-chloro-N'-hydroxy-1H-indole-3-carboximidamide
CID 135742381
3,5-dimethyl-1H-indole
CID 142943492
(5-amino-2,4-dimethylphenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 102707031
4-(5-methyl-1H-indol-3-yl)-4-oxobutanoic acid
CID 63554781
2-fluoro-N'-hydroxy-4-methylbenzenecarboximidamide
CID 125466399
(5-methyl-1H-indol-3-yl)-(3,4,5-trifluorophenyl)methanone
CID 63555314
(4-bromophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 63555156
(4-chlorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 63555318
2,2-dimethyl-1-(5-methyl-1H-indol-3-yl)butan-1-one
CID 55220154
CID 170793017
CID 170793017
(5-methyl-1H-indol-3-yl)-(2,4,6-trifluorophenyl)methanone
CID 65101248
2-cyclopropyl-1-(5-methyl-1H-indol-3-yl)ethanone
CID 63553709

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-methyl-1H-indole-3-carboximidamide?
The IUPAC name of N'-hydroxy-5-methyl-1H-indole-3-carboximidamide (CID 135742377) is N'-hydroxy-5-methyl-1H-indole-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-5-methyl-1H-indole-3-carboximidamide?
The canonical SMILES for N'-hydroxy-5-methyl-1H-indole-3-carboximidamide is Cc1ccc2[nH]cc(C(N)=NO)c2c1.
What is the InChIKey of N'-hydroxy-5-methyl-1H-indole-3-carboximidamide?
The InChIKey is UCJXABGGKWKYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-6-2-3-9-7(4-6)8(5-12-9)10(11)13-14/h2-5,12,14H,1H3,(H2,11,13).
What are the key properties of N'-hydroxy-5-methyl-1H-indole-3-carboximidamide?
N'-hydroxy-5-methyl-1H-indole-3-carboximidamide has a molecular weight of 189.22 g/mol, XLogP of 1.57, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-methyl-1H-indole-3-carboximidamide is sourced from PubChem (CID 135742377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).