3-(1H-indol-6-yl)prop-2-en-1-amine

C11H12N2 — CID 169463691

IUPAC3-(1H-indol-6-yl)prop-2-en-1-amine
SMILESNCC=Cc1ccc2cc[nH]c2c1
InChIInChI=1S/C11H12N2/c12-6-1-2-9-3-4-10-5-7-13-11(10)8-9/h1-5,7-8,13H,6,12H2
InChIKeyIJVVDJBMRSADGF-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.14
Rot. Bonds2

About 3-(1H-indol-6-yl)prop-2-en-1-amine

3-(1H-indol-6-yl)prop-2-en-1-amine (PubChem CID 169463691) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 3-(1H-indol-6-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name3-(1H-indol-6-yl)prop-2-en-1-amine
PubChem CID169463691
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name3-(1H-indol-6-yl)prop-2-en-1-amine
SMILESNCC=Cc1ccc2cc[nH]c2c1
InChIInChI=1S/C11H12N2/c12-6-1-2-9-3-4-10-5-7-13-11(10)8-9/h1-5,7-8,13H,6,12H2
InChIKeyIJVVDJBMRSADGF-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-3-(1H-indol-5-yl)prop-2-en-1-amine
CID 117276942
4-(1H-indol-6-yl)but-3-en-1-ol
CID 170476703
(E)-4-(1H-indol-6-yl)-N-methylbut-3-en-1-amine
CID 18388284
4-(1H-indol-5-yl)but-3-en-1-amine
CID 170487084
(E)-3-(1H-indol-6-yl)prop-2-enenitrile
CID 131245943
N-[4-(1H-indol-6-yl)but-3-enyl]acetamide
CID 170488820
(E)-3-(5-fluoro-1H-indol-6-yl)prop-2-en-1-amine
CID 117281812
3-naphthalen-2-ylprop-2-en-1-amine
CID 76997157
(E)-3-(5-methoxy-1H-indol-6-yl)prop-2-en-1-amine
CID 117290958
6-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1H-indole
CID 25050334
5-(4-bromobut-1-enyl)-1H-indole
CID 170497591
3-(2,3-dihydro-1H-indol-5-yl)prop-2-en-1-amine
CID 169463690

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-6-yl)prop-2-en-1-amine?
The IUPAC name of 3-(1H-indol-6-yl)prop-2-en-1-amine (CID 169463691) is 3-(1H-indol-6-yl)prop-2-en-1-amine.
What is the SMILES notation for 3-(1H-indol-6-yl)prop-2-en-1-amine?
The canonical SMILES for 3-(1H-indol-6-yl)prop-2-en-1-amine is NCC=Cc1ccc2cc[nH]c2c1.
What is the InChIKey of 3-(1H-indol-6-yl)prop-2-en-1-amine?
The InChIKey is IJVVDJBMRSADGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c12-6-1-2-9-3-4-10-5-7-13-11(10)8-9/h1-5,7-8,13H,6,12H2.
What are the key properties of 3-(1H-indol-6-yl)prop-2-en-1-amine?
3-(1H-indol-6-yl)prop-2-en-1-amine has a molecular weight of 172.23 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-6-yl)prop-2-en-1-amine is sourced from PubChem (CID 169463691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).