5-(3-aminoprop-1-enyl)-1H-indole-3-carboxylic acid

C12H12N2O2 — CID 169464273

IUPAC5-(3-aminoprop-1-enyl)-1H-indole-3-carboxylic acid
SMILESNCC=Cc1ccc2[nH]cc(C(=O)O)c2c1
InChIInChI=1S/C12H12N2O2/c13-5-1-2-8-3-4-11-9(6-8)10(7-14-11)12(15)16/h1-4,6-7,14H,5,13H2,(H,15,16)
InChIKeyUYTXPZZFAMILLQ-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.84
Rot. Bonds3

About 5-(3-aminoprop-1-enyl)-1H-indole-3-carboxylic acid

5-(3-aminoprop-1-enyl)-1H-indole-3-carboxylic acid (PubChem CID 169464273) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 5-(3-aminoprop-1-enyl)-1H-indole-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-aminoprop-1-enyl)-1H-indole-3-carboxylic acid
PubChem CID169464273
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name5-(3-aminoprop-1-enyl)-1H-indole-3-carboxylic acid
SMILESNCC=Cc1ccc2[nH]cc(C(=O)O)c2c1
InChIInChI=1S/C12H12N2O2/c13-5-1-2-8-3-4-11-9(6-8)10(7-14-11)12(15)16/h1-4,6-7,14H,5,13H2,(H,15,16)
InChIKeyUYTXPZZFAMILLQ-UHFFFAOYSA-N
XLogP1.84
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-aminobut-1-enyl)-1H-indole-3-carboxylic acid
CID 170487699
7-(3-aminoprop-1-enyl)-4-oxo-1H-quinoline-3-carboxylic acid
CID 169464463
5-(4-ethoxy-4-oxobut-1-enyl)-1H-indole-3-carboxylic acid
CID 170796928
5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]-1H-indole-3-carboxylic acid
CID 169468298
6-(4-acetamidobut-1-enyl)-4-oxo-1H-quinoline-3-carboxylic acid
CID 170489669
(2S)-2-amino-3-[5-[(E)-but-1-enyl]-1H-indol-3-yl]propanoic acid
CID 155907038
methyl 5-(4-acetamidobut-1-enyl)-1H-indole-3-carboxylate
CID 170489633
6-[4-(9H-fluoren-9-ylmethoxycarbonylamino)but-1-enyl]-4-oxo-1H-quinoline-3-carboxylic acid
CID 170493246
(E)-3-(1H-indol-5-yl)prop-2-en-1-amine
CID 117276942
5-(3-aminoprop-1-enyl)pyridine-2-carboxylic acid
CID 169463626
7-(3-amino-3-oxoprop-1-enyl)-4-oxo-1H-quinoline-3-carboxylic acid
CID 169482669
5-(4-methylphenyl)-1H-indole-3-carboxylic acid
CID 82297777

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-enyl)-1H-indole-3-carboxylic acid?
The IUPAC name of 5-(3-aminoprop-1-enyl)-1H-indole-3-carboxylic acid (CID 169464273) is 5-(3-aminoprop-1-enyl)-1H-indole-3-carboxylic acid.
What is the SMILES notation for 5-(3-aminoprop-1-enyl)-1H-indole-3-carboxylic acid?
The canonical SMILES for 5-(3-aminoprop-1-enyl)-1H-indole-3-carboxylic acid is NCC=Cc1ccc2[nH]cc(C(=O)O)c2c1.
What is the InChIKey of 5-(3-aminoprop-1-enyl)-1H-indole-3-carboxylic acid?
The InChIKey is UYTXPZZFAMILLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c13-5-1-2-8-3-4-11-9(6-8)10(7-14-11)12(15)16/h1-4,6-7,14H,5,13H2,(H,15,16).
What are the key properties of 5-(3-aminoprop-1-enyl)-1H-indole-3-carboxylic acid?
5-(3-aminoprop-1-enyl)-1H-indole-3-carboxylic acid has a molecular weight of 216.24 g/mol, XLogP of 1.84, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-enyl)-1H-indole-3-carboxylic acid is sourced from PubChem (CID 169464273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).