5-[(E)-3-aminoprop-1-enyl]-2,3-dimethyl-1H-indol-4-ol

C13H16N2O — CID 117308373

IUPAC5-[(E)-3-aminoprop-1-enyl]-2,3-dimethyl-1H-indol-4-ol
SMILESCc1[nH]c2ccc(/C=C/CN)c(O)c2c1C
InChIInChI=1S/C13H16N2O/c1-8-9(2)15-11-6-5-10(4-3-7-14)13(16)12(8)11/h3-6,15-16H,7,14H2,1-2H3/b4-3+
InChIKeyNBTZNCHODIUHFK-ONEGZZNKSA-N
MW216.28 g/mol
LogP2.46
Rot. Bonds2

About 5-[(E)-3-aminoprop-1-enyl]-2,3-dimethyl-1H-indol-4-ol

5-[(E)-3-aminoprop-1-enyl]-2,3-dimethyl-1H-indol-4-ol (PubChem CID 117308373) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 5-[(E)-3-aminoprop-1-enyl]-2,3-dimethyl-1H-indol-4-ol.

Molecular Properties

Compound Name5-[(E)-3-aminoprop-1-enyl]-2,3-dimethyl-1H-indol-4-ol
PubChem CID117308373
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name5-[(E)-3-aminoprop-1-enyl]-2,3-dimethyl-1H-indol-4-ol
SMILESCc1[nH]c2ccc(/C=C/CN)c(O)c2c1C
InChIInChI=1S/C13H16N2O/c1-8-9(2)15-11-6-5-10(4-3-7-14)13(16)12(8)11/h3-6,15-16H,7,14H2,1-2H3/b4-3+
InChIKeyNBTZNCHODIUHFK-ONEGZZNKSA-N
XLogP2.46
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-3-aminoprop-1-enyl]-2,3-dimethyl-1H-indol-4-ol?
The IUPAC name of 5-[(E)-3-aminoprop-1-enyl]-2,3-dimethyl-1H-indol-4-ol (CID 117308373) is 5-[(E)-3-aminoprop-1-enyl]-2,3-dimethyl-1H-indol-4-ol.
What is the SMILES notation for 5-[(E)-3-aminoprop-1-enyl]-2,3-dimethyl-1H-indol-4-ol?
The canonical SMILES for 5-[(E)-3-aminoprop-1-enyl]-2,3-dimethyl-1H-indol-4-ol is Cc1[nH]c2ccc(/C=C/CN)c(O)c2c1C.
What is the InChIKey of 5-[(E)-3-aminoprop-1-enyl]-2,3-dimethyl-1H-indol-4-ol?
The InChIKey is NBTZNCHODIUHFK-ONEGZZNKSA-N. The full InChI is InChI=1S/C13H16N2O/c1-8-9(2)15-11-6-5-10(4-3-7-14)13(16)12(8)11/h3-6,15-16H,7,14H2,1-2H3/b4-3+.
What are the key properties of 5-[(E)-3-aminoprop-1-enyl]-2,3-dimethyl-1H-indol-4-ol?
5-[(E)-3-aminoprop-1-enyl]-2,3-dimethyl-1H-indol-4-ol has a molecular weight of 216.28 g/mol, XLogP of 2.46, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-3-aminoprop-1-enyl]-2,3-dimethyl-1H-indol-4-ol is sourced from PubChem (CID 117308373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).