methyl N-(2-hydroxy-1-pentylindol-3-yl)iminocarbamate

C15H19N3O3 — CID 2692604

IUPACmethyl N-(2-hydroxy-1-pentylindol-3-yl)iminocarbamate
SMILESCCCCCn1c(O)c(/N=N/C(=O)OC)c2ccccc21
InChIInChI=1S/C15H19N3O3/c1-3-4-7-10-18-12-9-6-5-8-11(12)13(14(18)19)16-17-15(20)21-2/h5-6,8-9,19H,3-4,7,10H2,1-2H3/b17-16+
InChIKeyPILWAPNVQXXOOO-WUKNDPDISA-N
MW289.34 g/mol
LogP4.39
Rot. Bonds5

About methyl N-(2-hydroxy-1-pentylindol-3-yl)iminocarbamate

methyl N-(2-hydroxy-1-pentylindol-3-yl)iminocarbamate (PubChem CID 2692604) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is methyl N-(2-hydroxy-1-pentylindol-3-yl)iminocarbamate.

Molecular Properties

Compound Namemethyl N-(2-hydroxy-1-pentylindol-3-yl)iminocarbamate
PubChem CID2692604
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Namemethyl N-(2-hydroxy-1-pentylindol-3-yl)iminocarbamate
SMILESCCCCCn1c(O)c(/N=N/C(=O)OC)c2ccccc21
InChIInChI=1S/C15H19N3O3/c1-3-4-7-10-18-12-9-6-5-8-11(12)13(14(18)19)16-17-15(20)21-2/h5-6,8-9,19H,3-4,7,10H2,1-2H3/b17-16+
InChIKeyPILWAPNVQXXOOO-WUKNDPDISA-N
XLogP4.39
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(1-hexyl-2-hydroxyindol-3-yl)iminocarbamate
CID 135881483
methyl 2-[2-hydroxy-3-(methoxycarbonyldiazenyl)indol-1-yl]acetate
CID 932258
N'-(2-hydroxy-1-pentylindol-3-yl)imino-N-(4-methylphenyl)oxamide
CID 135574739
[amino-[(1-butyl-2-hydroxyindol-3-yl)diazenyl]methylidene]azanium
CID 135754966
2-(3,5-dimethylphenoxy)-N-(2-hydroxy-1-pentylindol-3-yl)iminoacetamide
CID 135726406
N-(1-butyl-2-hydroxyindol-3-yl)imino-3-hydroxybenzamide
CID 2696561
2-(3,4-dimethylphenoxy)-N-(2-hydroxy-1-pentylindol-3-yl)iminoacetamide
CID 135726405
N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide
CID 5030390
N,N'-bis[(2-hydroxy-1-propylindol-3-yl)imino]propanediamide;propanedihydrazide
CID 135810850
4-bromo-N-(1-butyl-2-hydroxyindol-3-yl)imino-1H-pyrrole-2-carboxamide
CID 135846592
1-butyl-3-[[3-[(1-butyl-2-hydroxyindol-3-yl)diazenyl]quinoxalin-2-yl]diazenyl]indol-2-ol
CID 135687000
N-(1-butyl-2-hydroxyindol-3-yl)imino-3-nitrobenzamide
CID 135824408

Frequently Asked Questions

What is the IUPAC name of methyl N-(2-hydroxy-1-pentylindol-3-yl)iminocarbamate?
The IUPAC name of methyl N-(2-hydroxy-1-pentylindol-3-yl)iminocarbamate (CID 2692604) is methyl N-(2-hydroxy-1-pentylindol-3-yl)iminocarbamate.
What is the SMILES notation for methyl N-(2-hydroxy-1-pentylindol-3-yl)iminocarbamate?
The canonical SMILES for methyl N-(2-hydroxy-1-pentylindol-3-yl)iminocarbamate is CCCCCn1c(O)c(/N=N/C(=O)OC)c2ccccc21.
What is the InChIKey of methyl N-(2-hydroxy-1-pentylindol-3-yl)iminocarbamate?
The InChIKey is PILWAPNVQXXOOO-WUKNDPDISA-N. The full InChI is InChI=1S/C15H19N3O3/c1-3-4-7-10-18-12-9-6-5-8-11(12)13(14(18)19)16-17-15(20)21-2/h5-6,8-9,19H,3-4,7,10H2,1-2H3/b17-16+.
What are the key properties of methyl N-(2-hydroxy-1-pentylindol-3-yl)iminocarbamate?
methyl N-(2-hydroxy-1-pentylindol-3-yl)iminocarbamate has a molecular weight of 289.34 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-hydroxy-1-pentylindol-3-yl)iminocarbamate is sourced from PubChem (CID 2692604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).