methyl N-(1-hydroxyindol-3-yl)carbamate

C10H10N2O3 — CID 102153081

IUPACmethyl N-(1-hydroxyindol-3-yl)carbamate
SMILESCOC(=O)Nc1cn(O)c2ccccc12
InChIInChI=1S/C10H10N2O3/c1-15-10(13)11-8-6-12(14)9-5-3-2-4-7(8)9/h2-6,14H,1H3,(H,11,13)
InChIKeyZESNWTPORATGCJ-UHFFFAOYSA-N
MW206.20 g/mol
LogP2.06
Rot. Bonds1

About methyl N-(1-hydroxyindol-3-yl)carbamate

methyl N-(1-hydroxyindol-3-yl)carbamate (PubChem CID 102153081) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is methyl N-(1-hydroxyindol-3-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(1-hydroxyindol-3-yl)carbamate
PubChem CID102153081
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Namemethyl N-(1-hydroxyindol-3-yl)carbamate
SMILESCOC(=O)Nc1cn(O)c2ccccc12
InChIInChI=1S/C10H10N2O3/c1-15-10(13)11-8-6-12(14)9-5-3-2-4-7(8)9/h2-6,14H,1H3,(H,11,13)
InChIKeyZESNWTPORATGCJ-UHFFFAOYSA-N
XLogP2.06
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl N-[5-(methoxycarbonylamino)naphthalen-1-yl]carbamate
CID 4594667
methyl 2-(1-hydroxyindol-3-yl)acetate
CID 15081201
methyl N-(2-hydroxyphenyl)carbamate
CID 819280
methyl 4-(1-hydroxyindol-3-yl)butanoate
CID 10900530
methyl 3-bromoindole-1-carboxylate
CID 82381716
methyl N-(2-nitrosophenyl)carbamate
CID 45122951
tert-butyl N-(1-aminoindol-4-yl)carbamate
CID 58607316
1-(1-hydroxy-2-methylpropan-2-yl)-3-[1-(2-methoxyethyl)indol-3-yl]urea
CID 40519808
2-(1-methoxycarbonylindol-3-yl)acetic acid
CID 58375530
methyl N-(2-methylsulfonylphenyl)carbamate
CID 117062831
1-hydroxy-4-oxoquinoline-3-carboxylic acid;hydrochloride
CID 141163916
methyl N-[2,4-dianilino-5-(methoxycarbonylamino)phenyl]carbamate
CID 23026427

Frequently Asked Questions

What is the IUPAC name of methyl N-(1-hydroxyindol-3-yl)carbamate?
The IUPAC name of methyl N-(1-hydroxyindol-3-yl)carbamate (CID 102153081) is methyl N-(1-hydroxyindol-3-yl)carbamate.
What is the SMILES notation for methyl N-(1-hydroxyindol-3-yl)carbamate?
The canonical SMILES for methyl N-(1-hydroxyindol-3-yl)carbamate is COC(=O)Nc1cn(O)c2ccccc12.
What is the InChIKey of methyl N-(1-hydroxyindol-3-yl)carbamate?
The InChIKey is ZESNWTPORATGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-15-10(13)11-8-6-12(14)9-5-3-2-4-7(8)9/h2-6,14H,1H3,(H,11,13).
What are the key properties of methyl N-(1-hydroxyindol-3-yl)carbamate?
methyl N-(1-hydroxyindol-3-yl)carbamate has a molecular weight of 206.20 g/mol, XLogP of 2.06, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1-hydroxyindol-3-yl)carbamate is sourced from PubChem (CID 102153081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).