ethyl N-(3-aminoindol-3-yl)carbamate

C11H13N3O2 — CID 141283881

IUPACethyl N-(3-aminoindol-3-yl)carbamate
SMILESCCOC(=O)NC1(N)C=Nc2ccccc21
InChIInChI=1S/C11H13N3O2/c1-2-16-10(15)14-11(12)7-13-9-6-4-3-5-8(9)11/h3-7H,2,12H2,1H3,(H,14,15)
InChIKeyQQLLWQKRZKNIRF-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.26
Rot. Bonds2

About ethyl N-(3-aminoindol-3-yl)carbamate

ethyl N-(3-aminoindol-3-yl)carbamate (PubChem CID 141283881) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is ethyl N-(3-aminoindol-3-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(3-aminoindol-3-yl)carbamate
PubChem CID141283881
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Nameethyl N-(3-aminoindol-3-yl)carbamate
SMILESCCOC(=O)NC1(N)C=Nc2ccccc21
InChIInChI=1S/C11H13N3O2/c1-2-16-10(15)14-11(12)7-13-9-6-4-3-5-8(9)11/h3-7H,2,12H2,1H3,(H,14,15)
InChIKeyQQLLWQKRZKNIRF-UHFFFAOYSA-N
XLogP1.26
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl 2,2,2-trifluoro-1-{[2-(3H-indol-3-yl)ethyl]amino}-1-(trifluoromethyl)ethylcarbamate
CID 582649
[2-(ethoxycarbonylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]-[2-[(3S)-3H-indol-3-yl]ethyl]azanium
CID 7236121
ethyl N-[1,1,1,3,3,3-hexafluoro-2-[2-[(3S)-3H-indol-3-yl]ethylamino]propan-2-yl]carbamate
CID 7236122
[2-(ethoxycarbonylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]-[2-[(3R)-3H-indol-3-yl]ethyl]azanium
CID 7236123
ethyl N-[1,1,1,3,3,3-hexafluoro-2-[2-[(3R)-3H-indol-3-yl]ethylamino]propan-2-yl]carbamate
CID 7236124
ethyl 2,2,2-trifluoro-1-(3H-indol-3-yl)-1-(trifluoromethyl)ethylcarbamate
CID 56689965
ethyl N-[1,1,1,3,3,3-hexafluoro-2-[(3S)-3H-indol-3-yl]propan-2-yl]carbamate
CID 92280317
ethyl N-[1,1,1,3,3,3-hexafluoro-2-[(3R)-3H-indol-3-yl]propan-2-yl]carbamate
CID 99640093
ethyl N-(3-chloro-5,7-difluoro-3H-indol-3-yl)carbamate
CID 162678946
ethyl N-[2-(aminomethyl)phenyl]carbamate
CID 20119434
Methyl 2-[(methylimino)methyl]phenylcarbamate
CID 49856001
Methyl 2-[(Allylimino)methyl]phenylcarbamate
CID 49856184

Frequently Asked Questions

What is the IUPAC name of ethyl N-(3-aminoindol-3-yl)carbamate?
The IUPAC name of ethyl N-(3-aminoindol-3-yl)carbamate (CID 141283881) is ethyl N-(3-aminoindol-3-yl)carbamate.
What is the SMILES notation for ethyl N-(3-aminoindol-3-yl)carbamate?
The canonical SMILES for ethyl N-(3-aminoindol-3-yl)carbamate is CCOC(=O)NC1(N)C=Nc2ccccc21.
What is the InChIKey of ethyl N-(3-aminoindol-3-yl)carbamate?
The InChIKey is QQLLWQKRZKNIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-2-16-10(15)14-11(12)7-13-9-6-4-3-5-8(9)11/h3-7H,2,12H2,1H3,(H,14,15).
What are the key properties of ethyl N-(3-aminoindol-3-yl)carbamate?
ethyl N-(3-aminoindol-3-yl)carbamate has a molecular weight of 219.24 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(3-aminoindol-3-yl)carbamate is sourced from PubChem (CID 141283881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).