ethyl 2-(1H-indol-3-yl)ethanimidate

C12H14N2O — CID 3261311

IUPACethyl 2-(1H-indol-3-yl)ethanimidate
SMILES[H]/N=C(/Cc1c[nH]c2ccccc12)OCC
InChIInChI=1S/C12H14N2O/c1-2-15-12(13)7-9-8-14-11-6-4-3-5-10(9)11/h3-6,8,13-14H,2,7H2,1H3/b13-12-
InChIKeyUTLBRHSTJYZWQR-SEYXRHQNSA-N
MW202.26 g/mol
LogP2.72
Rot. Bonds3

About ethyl 2-(1H-indol-3-yl)ethanimidate

ethyl 2-(1H-indol-3-yl)ethanimidate (PubChem CID 3261311) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is ethyl 2-(1H-indol-3-yl)ethanimidate.

Molecular Properties

Compound Nameethyl 2-(1H-indol-3-yl)ethanimidate
PubChem CID3261311
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Nameethyl 2-(1H-indol-3-yl)ethanimidate
SMILES[H]/N=C(/Cc1c[nH]c2ccccc12)OCC
InChIInChI=1S/C12H14N2O/c1-2-15-12(13)7-9-8-14-11-6-4-3-5-10(9)11/h3-6,8,13-14H,2,7H2,1H3/b13-12-
InChIKeyUTLBRHSTJYZWQR-SEYXRHQNSA-N
XLogP2.72
TPSA48.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-O-ethyl 2-O-[3-(1H-indol-3-yl)-2-oxopropyl] oxalate
CID 10732157
3-ethyl-1H-indole;methanamine
CID 142222050
ethyl (2S)-3-(1H-indol-3-yl)-2-methylpropanoate
CID 170617475
ethyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate
CID 688583
ethyl 2-(2-fluorophenyl)ethanimidate;hydrochloride
CID 19906262
ethyl 2-amino-3-(1H-indol-3-yl)propanoate chloride
CID 16637454
diethyl 2-(1H-indol-3-ylmethyl)-2-methylpropanedioate
CID 12724509
diethyl 2-amino-2-(1H-indol-3-ylmethyl)propanedioate
CID 14315603
ethyl 4-(1H-indol-3-yl)butanoate;hydrochloride
CID 67834075
ethyl 3-(1H-indol-3-ylmethylamino)-3-oxopropanoate
CID 115138557
[2-(diethylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7960168
CID 135044640
CID 135044640

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1H-indol-3-yl)ethanimidate?
The IUPAC name of ethyl 2-(1H-indol-3-yl)ethanimidate (CID 3261311) is ethyl 2-(1H-indol-3-yl)ethanimidate.
What is the SMILES notation for ethyl 2-(1H-indol-3-yl)ethanimidate?
The canonical SMILES for ethyl 2-(1H-indol-3-yl)ethanimidate is [H]/N=C(/Cc1c[nH]c2ccccc12)OCC.
What is the InChIKey of ethyl 2-(1H-indol-3-yl)ethanimidate?
The InChIKey is UTLBRHSTJYZWQR-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H14N2O/c1-2-15-12(13)7-9-8-14-11-6-4-3-5-10(9)11/h3-6,8,13-14H,2,7H2,1H3/b13-12-.
What are the key properties of ethyl 2-(1H-indol-3-yl)ethanimidate?
ethyl 2-(1H-indol-3-yl)ethanimidate has a molecular weight of 202.26 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 2-(1H-indol-3-yl)ethanimidate is sourced from PubChem (CID 3261311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).