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

C11H13ClN2 — CID 171197962

IUPAC(1R)-1-(1H-indol-3-yl)prop-2-en-1-amine;hydrochloride
SMILESC=C[C@@H](N)c1c[nH]c2ccccc12.Cl
InChIInChI=1S/C11H12N2.ClH/c1-2-10(12)9-7-13-11-6-4-3-5-8(9)11;/h2-7,10,13H,1,12H2;1H/t10-;/m1./s1
InChIKeyNZRGATAQBXGEIZ-HNCPQSOCSA-N
MW208.69 g/mol
LogP2.78
Rot. Bonds2

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

(1R)-1-(1H-indol-3-yl)prop-2-en-1-amine;hydrochloride (PubChem CID 171197962) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is (1R)-1-(1H-indol-3-yl)prop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(1H-indol-3-yl)prop-2-en-1-amine;hydrochloride
PubChem CID171197962
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC Name(1R)-1-(1H-indol-3-yl)prop-2-en-1-amine;hydrochloride
SMILESC=C[C@@H](N)c1c[nH]c2ccccc12.Cl
InChIInChI=1S/C11H12N2.ClH/c1-2-10(12)9-7-13-11-6-4-3-5-8(9)11;/h2-7,10,13H,1,12H2;1H/t10-;/m1./s1
InChIKeyNZRGATAQBXGEIZ-HNCPQSOCSA-N
XLogP2.78
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 52.78
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

1-(1H-indol-3-yl)prop-2-en-1-amine
CID 55294436
(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
3-[(1S)-1-piperazin-1-ylprop-2-enyl]-1H-indole;dihydrochloride
CID 171272371
(1R)-1-(1H-indol-3-yl)-2,2-dimethylpropan-1-amine
CID 131535143
(1R)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanamine
CID 42553559
1-(1H-indol-3-yl)-N',N'-dimethylmethanediamine
CID 116909089
3-propan-2-yl-1H-indole
CID 12534824
2-(1H-indol-3-yl)propan-1-amine;hydrochloride
CID 11970278
2-amino-3-(1H-indol-3-yl)butanal
CID 174494789
3-[(1R)-1-thiophen-3-ylprop-2-enyl]-1H-indole
CID 134968815

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1H-indol-3-yl)prop-2-en-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(1H-indol-3-yl)prop-2-en-1-amine;hydrochloride (CID 171197962) is (1R)-1-(1H-indol-3-yl)prop-2-en-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(1H-indol-3-yl)prop-2-en-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(1H-indol-3-yl)prop-2-en-1-amine;hydrochloride is C=C[C@@H](N)c1c[nH]c2ccccc12.Cl.
What is the InChIKey of (1R)-1-(1H-indol-3-yl)prop-2-en-1-amine;hydrochloride?
The InChIKey is NZRGATAQBXGEIZ-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H12N2.ClH/c1-2-10(12)9-7-13-11-6-4-3-5-8(9)11;/h2-7,10,13H,1,12H2;1H/t10-;/m1./s1.
What are the key properties of (1R)-1-(1H-indol-3-yl)prop-2-en-1-amine;hydrochloride?
(1R)-1-(1H-indol-3-yl)prop-2-en-1-amine;hydrochloride has a molecular weight of 208.69 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1H-indol-3-yl)prop-2-en-1-amine;hydrochloride is sourced from PubChem (CID 171197962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).