ethyl N-(4-hydroxy-2-methyl-1H-indol-5-yl)carbamate

C12H14N2O3 — CID 11770383

IUPACethyl N-(4-hydroxy-2-methyl-1H-indol-5-yl)carbamate
SMILESCCOC(=O)Nc1ccc2[nH]c(C)cc2c1O
InChIInChI=1S/C12H14N2O3/c1-3-17-12(16)14-10-5-4-9-8(11(10)15)6-7(2)13-9/h4-6,13,15H,3H2,1-2H3,(H,14,16)
InChIKeyLJHVLVZFHQADTM-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.75
Rot. Bonds2

About ethyl N-(4-hydroxy-2-methyl-1H-indol-5-yl)carbamate

ethyl N-(4-hydroxy-2-methyl-1H-indol-5-yl)carbamate (PubChem CID 11770383) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is ethyl N-(4-hydroxy-2-methyl-1H-indol-5-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(4-hydroxy-2-methyl-1H-indol-5-yl)carbamate
PubChem CID11770383
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Nameethyl N-(4-hydroxy-2-methyl-1H-indol-5-yl)carbamate
SMILESCCOC(=O)Nc1ccc2[nH]c(C)cc2c1O
InChIInChI=1S/C12H14N2O3/c1-3-17-12(16)14-10-5-4-9-8(11(10)15)6-7(2)13-9/h4-6,13,15H,3H2,1-2H3,(H,14,16)
InChIKeyLJHVLVZFHQADTM-UHFFFAOYSA-N
XLogP2.75
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[2-hydroxy-4-(methylamino)phenyl]carbamate
CID 70037110
ethyl 2-(4-methoxy-2-methyl-1H-indol-5-yl)-2-oxoacetate
CID 117406959
tert-butyl N-(2-methyl-1H-indol-4-yl)carbamate
CID 134485440
ethyl N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamate
CID 64592207
ethyl N-(2-formyl-4-methylphenyl)carbamate
CID 135178172
4-amino-2-methyl-1H-indol-5-ol
CID 82415321
ethyl 3-(ethoxycarbonylamino)-5-methoxy-1H-indole-2-carboxylate
CID 6615701
ethyl N-[2-(5,6-dihydroxy-4-oxo-1H-quinolin-2-yl)-5-hydroxyphenyl]carbamate
CID 66649868
ethyl N-[2-(6,7-dihydroxy-4-oxo-1H-quinolin-2-yl)phenyl]carbamate
CID 123152524
3-(4-hydroxy-2-methyl-1H-indol-5-yl)-2,2-dimethylpropanoic acid
CID 117370245
ethyl N-(3,5-dichloro-2-hydroxy-4-methylphenyl)carbamate
CID 102371943
2-(ethoxycarbonylamino)-4-hydroxybenzoic acid
CID 19845793

Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-hydroxy-2-methyl-1H-indol-5-yl)carbamate?
The IUPAC name of ethyl N-(4-hydroxy-2-methyl-1H-indol-5-yl)carbamate (CID 11770383) is ethyl N-(4-hydroxy-2-methyl-1H-indol-5-yl)carbamate.
What is the SMILES notation for ethyl N-(4-hydroxy-2-methyl-1H-indol-5-yl)carbamate?
The canonical SMILES for ethyl N-(4-hydroxy-2-methyl-1H-indol-5-yl)carbamate is CCOC(=O)Nc1ccc2[nH]c(C)cc2c1O.
What is the InChIKey of ethyl N-(4-hydroxy-2-methyl-1H-indol-5-yl)carbamate?
The InChIKey is LJHVLVZFHQADTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-3-17-12(16)14-10-5-4-9-8(11(10)15)6-7(2)13-9/h4-6,13,15H,3H2,1-2H3,(H,14,16).
What are the key properties of ethyl N-(4-hydroxy-2-methyl-1H-indol-5-yl)carbamate?
ethyl N-(4-hydroxy-2-methyl-1H-indol-5-yl)carbamate has a molecular weight of 234.25 g/mol, XLogP of 2.75, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-hydroxy-2-methyl-1H-indol-5-yl)carbamate is sourced from PubChem (CID 11770383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).