ethyl N-[(2-methyl-1H-indol-5-yl)methyl]carbamate

C13H16N2O2 — CID 4588656

IUPACethyl N-[(2-methyl-1H-indol-5-yl)methyl]carbamate
SMILESCCOC(=O)NCc1ccc2[nH]c(C)cc2c1
InChIInChI=1S/C13H16N2O2/c1-3-17-13(16)14-8-10-4-5-12-11(7-10)6-9(2)15-12/h4-7,15H,3,8H2,1-2H3,(H,14,16)
InChIKeyPAXCFSINZJTOGH-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.72
Rot. Bonds3

About ethyl N-[(2-methyl-1H-indol-5-yl)methyl]carbamate

ethyl N-[(2-methyl-1H-indol-5-yl)methyl]carbamate (PubChem CID 4588656) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is ethyl N-[(2-methyl-1H-indol-5-yl)methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(2-methyl-1H-indol-5-yl)methyl]carbamate
PubChem CID4588656
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Nameethyl N-[(2-methyl-1H-indol-5-yl)methyl]carbamate
SMILESCCOC(=O)NCc1ccc2[nH]c(C)cc2c1
InChIInChI=1S/C13H16N2O2/c1-3-17-13(16)14-8-10-4-5-12-11(7-10)6-9(2)15-12/h4-7,15H,3,8H2,1-2H3,(H,14,16)
InChIKeyPAXCFSINZJTOGH-UHFFFAOYSA-N
XLogP2.72
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[(2-methyl-1H-indol-5-yl)methyl]carbamate?
The IUPAC name of ethyl N-[(2-methyl-1H-indol-5-yl)methyl]carbamate (CID 4588656) is ethyl N-[(2-methyl-1H-indol-5-yl)methyl]carbamate.
What is the SMILES notation for ethyl N-[(2-methyl-1H-indol-5-yl)methyl]carbamate?
The canonical SMILES for ethyl N-[(2-methyl-1H-indol-5-yl)methyl]carbamate is CCOC(=O)NCc1ccc2[nH]c(C)cc2c1.
What is the InChIKey of ethyl N-[(2-methyl-1H-indol-5-yl)methyl]carbamate?
The InChIKey is PAXCFSINZJTOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-3-17-13(16)14-8-10-4-5-12-11(7-10)6-9(2)15-12/h4-7,15H,3,8H2,1-2H3,(H,14,16).
What are the key properties of ethyl N-[(2-methyl-1H-indol-5-yl)methyl]carbamate?
ethyl N-[(2-methyl-1H-indol-5-yl)methyl]carbamate has a molecular weight of 232.28 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(2-methyl-1H-indol-5-yl)methyl]carbamate is sourced from PubChem (CID 4588656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).