ethyl N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]carbamate

C12H13N3O3 — CID 2692659

IUPACethyl N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]carbamate
SMILESCCOC(=O)/N=N/c1c(O)[nH]c2c(C)cccc12
InChIInChI=1S/C12H13N3O3/c1-3-18-12(17)15-14-10-8-6-4-5-7(2)9(8)13-11(10)16/h4-6,13,16H,3H2,1-2H3/b15-14+
InChIKeyOGFMMKBOMZSHBV-CCEZHUSRSA-N
MW247.25 g/mol
LogP3.42
Rot. Bonds2

About ethyl N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]carbamate

ethyl N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]carbamate (PubChem CID 2692659) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is ethyl N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]carbamate.

Molecular Properties

Compound Nameethyl N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]carbamate
PubChem CID2692659
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Nameethyl N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]carbamate
SMILESCCOC(=O)/N=N/c1c(O)[nH]c2c(C)cccc12
InChIInChI=1S/C12H13N3O3/c1-3-18-12(17)15-14-10-8-6-4-5-7(2)9(8)13-11(10)16/h4-6,13,16H,3H2,1-2H3/b15-14+
InChIKeyOGFMMKBOMZSHBV-CCEZHUSRSA-N
XLogP3.42
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-hydroxy-7-methyl-1H-indol-3-yl)iminourea
CID 788841
ethyl N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]carbamate
CID 135557738
N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(4-methylanilino)acetamide
CID 135730971
2-(4-tert-butylphenoxy)-N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]acetamide
CID 135551915
N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-3,5-dimethoxybenzamide
CID 135582404
ethyl N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]carbamate
CID 135836804
N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(3-methoxyanilino)acetamide
CID 135725912
2-(2-benzylphenoxy)-N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]acetamide
CID 135576133
3-[(2,4-dimethylphenyl)diazenyl]-7-methyl-1H-indol-2-ol
CID 136867577
N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-methylquinoline-3-carboxamide
CID 788839
3-[(3,5-dichlorophenyl)diazenyl]-7-methyl-1H-indol-2-ol
CID 136867574
N-[3-[(2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 5029156

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]carbamate?
The IUPAC name of ethyl N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]carbamate (CID 2692659) is ethyl N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]carbamate.
What is the SMILES notation for ethyl N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]carbamate?
The canonical SMILES for ethyl N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]carbamate is CCOC(=O)/N=N/c1c(O)[nH]c2c(C)cccc12.
What is the InChIKey of ethyl N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]carbamate?
The InChIKey is OGFMMKBOMZSHBV-CCEZHUSRSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-3-18-12(17)15-14-10-8-6-4-5-7(2)9(8)13-11(10)16/h4-6,13,16H,3H2,1-2H3/b15-14+.
What are the key properties of ethyl N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]carbamate?
ethyl N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]carbamate has a molecular weight of 247.25 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]carbamate is sourced from PubChem (CID 2692659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).