ethyl N-(1H-indol-5-ylmethyl)carbamate

C12H14N2O2 — CID 59248610

IUPACethyl N-(1H-indol-5-ylmethyl)carbamate
SMILESCCOC(=O)NCc1ccc2[nH]ccc2c1
InChIInChI=1S/C12H14N2O2/c1-2-16-12(15)14-8-9-3-4-11-10(7-9)5-6-13-11/h3-7,13H,2,8H2,1H3,(H,14,15)
InChIKeyYQHBERKCZOALHV-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.41
Rot. Bonds3

About ethyl N-(1H-indol-5-ylmethyl)carbamate

ethyl N-(1H-indol-5-ylmethyl)carbamate (PubChem CID 59248610) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is ethyl N-(1H-indol-5-ylmethyl)carbamate.

Molecular Properties

Compound Nameethyl N-(1H-indol-5-ylmethyl)carbamate
PubChem CID59248610
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Nameethyl N-(1H-indol-5-ylmethyl)carbamate
SMILESCCOC(=O)NCc1ccc2[nH]ccc2c1
InChIInChI=1S/C12H14N2O2/c1-2-16-12(15)14-8-9-3-4-11-10(7-9)5-6-13-11/h3-7,13H,2,8H2,1H3,(H,14,15)
InChIKeyYQHBERKCZOALHV-UHFFFAOYSA-N
XLogP2.41
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 3-(1H-indol-5-yl)propanoate
CID 73357468
6-ethoxy-N-(1H-indol-5-ylmethyl)pyridine-3-carboxamide
CID 68629889
ethyl N-[(3,4-diaminophenyl)methyl]carbamate
CID 130366044
ethyl N-[(3-amino-4-methylphenyl)methyl]carbamate
CID 58780499
methyl 2-(1H-indol-5-yl)acetate
CID 43831379
methyl 4-[(1H-indol-5-ylmethylamino)methyl]benzoate
CID 118070071
5-ethyl-N-(1H-indol-5-ylmethyl)pyrazolidine-3-carboxamide
CID 134128069
ethyl N-[[3-(cyanomethyl)-1H-indol-5-yl]methyl]carbamate
CID 131715970
N-(1H-indol-5-ylmethyl)-5-(4-methylphenoxy)pyridine-2-carboxamide
CID 68637316
ethyl N-[(4-carbamothioylphenyl)methyl]carbamate
CID 62311623
3-(1H-indol-5-ylmethylamino)-N-(2-methoxyethyl)propanamide
CID 102911835
N-(1H-indol-5-ylmethyl)-4-(trifluoromethoxy)benzamide
CID 68637610

Frequently Asked Questions

What is the IUPAC name of ethyl N-(1H-indol-5-ylmethyl)carbamate?
The IUPAC name of ethyl N-(1H-indol-5-ylmethyl)carbamate (CID 59248610) is ethyl N-(1H-indol-5-ylmethyl)carbamate.
What is the SMILES notation for ethyl N-(1H-indol-5-ylmethyl)carbamate?
The canonical SMILES for ethyl N-(1H-indol-5-ylmethyl)carbamate is CCOC(=O)NCc1ccc2[nH]ccc2c1.
What is the InChIKey of ethyl N-(1H-indol-5-ylmethyl)carbamate?
The InChIKey is YQHBERKCZOALHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-2-16-12(15)14-8-9-3-4-11-10(7-9)5-6-13-11/h3-7,13H,2,8H2,1H3,(H,14,15).
What are the key properties of ethyl N-(1H-indol-5-ylmethyl)carbamate?
ethyl N-(1H-indol-5-ylmethyl)carbamate has a molecular weight of 218.26 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(1H-indol-5-ylmethyl)carbamate is sourced from PubChem (CID 59248610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).