N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]cyclopropanecarboxamide

C13H13N3O2 — CID 3522573

IUPACN-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]cyclopropanecarboxamide
SMILESCc1ccc2[nH]c(O)c(/N=N/C(=O)C3CC3)c2c1
InChIInChI=1S/C13H13N3O2/c1-7-2-5-10-9(6-7)11(13(18)14-10)15-16-12(17)8-3-4-8/h2,5-6,8,14,18H,3-4H2,1H3/b16-15+
InChIKeyTXHTURXRRFABSE-FOCLMDBBSA-N
MW243.27 g/mol
LogP3.20
Rot. Bonds2

About N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]cyclopropanecarboxamide

N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]cyclopropanecarboxamide (PubChem CID 3522573) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]cyclopropanecarboxamide
PubChem CID3522573
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC NameN-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]cyclopropanecarboxamide
SMILESCc1ccc2[nH]c(O)c(/N=N/C(=O)C3CC3)c2c1
InChIInChI=1S/C13H13N3O2/c1-7-2-5-10-9(6-7)11(13(18)14-10)15-16-12(17)8-3-4-8/h2,5-6,8,14,18H,3-4H2,1H3/b16-15+
InChIKeyTXHTURXRRFABSE-FOCLMDBBSA-N
XLogP3.20
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-hydroxy-5-(trifluoromethyl)-1H-indol-3-yl]imino]cyclopropanecarboxamide
CID 136867777
N-[(2-hydroxy-1H-indol-3-yl)imino]cyclopropanecarboxamide
CID 922351
2-chloro-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]benzamide
CID 788827
(3R)-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-1,1-dioxothiolane-3-carboxamide
CID 135817760
5-methyl-3-nitroso-1H-indol-2-ol
CID 583072
N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide
CID 5021886
N'-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-N-(4-methylphenyl)oxamide
CID 135785168
N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-naphthalen-1-yloxyacetamide
CID 4634793
2-(2,4-dibromo-6-methoxyphenoxy)-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]acetamide
CID 1043453
N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-[(4-methylbenzoyl)amino]benzamide
CID 136961535
2-N,4-N-bis[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-3,5-dimethyl-1H-pyrrole-2,4-dicarboxamide
CID 137226369
N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(2-oxo-3H-indol-1-yl)acetamide
CID 167527216

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]cyclopropanecarboxamide?
The IUPAC name of N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]cyclopropanecarboxamide (CID 3522573) is N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]cyclopropanecarboxamide?
The canonical SMILES for N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]cyclopropanecarboxamide is Cc1ccc2[nH]c(O)c(/N=N/C(=O)C3CC3)c2c1.
What is the InChIKey of N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]cyclopropanecarboxamide?
The InChIKey is TXHTURXRRFABSE-FOCLMDBBSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-7-2-5-10-9(6-7)11(13(18)14-10)15-16-12(17)8-3-4-8/h2,5-6,8,14,18H,3-4H2,1H3/b16-15+.
What are the key properties of N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]cyclopropanecarboxamide?
N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]cyclopropanecarboxamide has a molecular weight of 243.27 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]cyclopropanecarboxamide is sourced from PubChem (CID 3522573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).