1-(1H-indol-3-yl)prop-2-en-1-amine

C11H12N2 — CID 55294436

IUPAC1-(1H-indol-3-yl)prop-2-en-1-amine
SMILESC=CC(N)c1c[nH]c2ccccc12
InChIInChI=1S/C11H12N2/c1-2-10(12)9-7-13-11-6-4-3-5-8(9)11/h2-7,10,13H,1,12H2
InChIKeyKHYGSPGTAXUFRN-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.35
Rot. Bonds2

About 1-(1H-indol-3-yl)prop-2-en-1-amine

1-(1H-indol-3-yl)prop-2-en-1-amine (PubChem CID 55294436) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name1-(1H-indol-3-yl)prop-2-en-1-amine
PubChem CID55294436
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name1-(1H-indol-3-yl)prop-2-en-1-amine
SMILESC=CC(N)c1c[nH]c2ccccc12
InChIInChI=1S/C11H12N2/c1-2-10(12)9-7-13-11-6-4-3-5-8(9)11/h2-7,10,13H,1,12H2
InChIKeyKHYGSPGTAXUFRN-UHFFFAOYSA-N
XLogP2.35
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(1H-indol-3-yl)prop-2-en-1-amine;hydrochloride
CID 171197962
(2R)-2-amino-2-(1H-indol-3-yl)acetaldehyde
CID 175028483
(1S)-1-(1H-indol-3-yl)but-3-en-1-amine
CID 55270742
1-(1H-indol-3-yl)-2-methylbut-3-en-1-ol
CID 10631907
(1R)-1-(1H-indol-3-yl)-2,2-dimethylpropan-1-amine
CID 131535143
1-(1H-indol-3-yl)-N',N'-dimethylmethanediamine
CID 116909089
(1R)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanamine
CID 42553559
3-propan-2-yl-1H-indole
CID 12534824
2-amino-3-(1H-indol-3-yl)butanal
CID 174494789
3-[(1R)-1-thiophen-3-ylprop-2-enyl]-1H-indole
CID 134968815
2-amino-2-(1H-indol-3-yl)acetyl chloride
CID 88673710
3-[(1S)-1-piperazin-1-ylprop-2-enyl]-1H-indole;dihydrochloride
CID 171272371

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)prop-2-en-1-amine?
The IUPAC name of 1-(1H-indol-3-yl)prop-2-en-1-amine (CID 55294436) is 1-(1H-indol-3-yl)prop-2-en-1-amine.
What is the SMILES notation for 1-(1H-indol-3-yl)prop-2-en-1-amine?
The canonical SMILES for 1-(1H-indol-3-yl)prop-2-en-1-amine is C=CC(N)c1c[nH]c2ccccc12.
What is the InChIKey of 1-(1H-indol-3-yl)prop-2-en-1-amine?
The InChIKey is KHYGSPGTAXUFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-2-10(12)9-7-13-11-6-4-3-5-8(9)11/h2-7,10,13H,1,12H2.
What are the key properties of 1-(1H-indol-3-yl)prop-2-en-1-amine?
1-(1H-indol-3-yl)prop-2-en-1-amine has a molecular weight of 172.23 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)prop-2-en-1-amine is sourced from PubChem (CID 55294436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).