(E)-3-(1H-indol-3-yl)but-2-en-1-amine

C12H14N2 — CID 75355351

IUPAC(E)-3-(1H-indol-3-yl)but-2-en-1-amine
SMILESC/C(=C\CN)c1c[nH]c2ccccc12
InChIInChI=1S/C12H14N2/c1-9(6-7-13)11-8-14-12-5-3-2-4-10(11)12/h2-6,8,14H,7,13H2,1H3/b9-6+
InChIKeyIAWQBGZMFFNXNJ-RMKNXTFCSA-N
MW186.26 g/mol
LogP2.53
Rot. Bonds2

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

(E)-3-(1H-indol-3-yl)but-2-en-1-amine (PubChem CID 75355351) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is (E)-3-(1H-indol-3-yl)but-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(1H-indol-3-yl)but-2-en-1-amine
PubChem CID75355351
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name(E)-3-(1H-indol-3-yl)but-2-en-1-amine
SMILESC/C(=C\CN)c1c[nH]c2ccccc12
InChIInChI=1S/C12H14N2/c1-9(6-7-13)11-8-14-12-5-3-2-4-10(11)12/h2-6,8,14H,7,13H2,1H3/b9-6+
InChIKeyIAWQBGZMFFNXNJ-RMKNXTFCSA-N
XLogP2.53
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(E)-5-piperazin-1-ylpent-2-en-2-yl]-1H-indole
CID 82305689
(E)-1,3-bis(1H-indol-3-yl)-N-methylbut-2-en-1-imine
CID 142337439
(2E,4E)-5-(1H-indol-3-yl)hexa-2,4-dienoic acid
CID 116822539
ethane;1-(1H-indol-3-yl)propane-1,2-dione
CID 90885148
[2-(1H-indol-3-yl)-2-oxoethyl] 3-methylbut-2-enoate
CID 5137843
3-(3-methylbut-1-en-2-yl)-1H-indole
CID 130016048
4-amino-1-(1H-indol-3-yl)-3-methylbutan-1-one
CID 116916106
ethyl 1H-indole-3-carboxylate;hydrate;hydrochloride
CID 141063038
acetic acid;2-(1H-indol-3-yl)ethanamine
CID 57357905
N-[2-(1H-indol-3-yl)-2-oxoethyl]-N-prop-2-enylacetamide
CID 84573298
1H-indol-3-ylmethanamine;hydrochloride
CID 52986033
N-(2,6-diethylphenyl)-1H-indole-3-carboxamide
CID 113205558

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1H-indol-3-yl)but-2-en-1-amine?
The IUPAC name of (E)-3-(1H-indol-3-yl)but-2-en-1-amine (CID 75355351) is (E)-3-(1H-indol-3-yl)but-2-en-1-amine.
What is the SMILES notation for (E)-3-(1H-indol-3-yl)but-2-en-1-amine?
The canonical SMILES for (E)-3-(1H-indol-3-yl)but-2-en-1-amine is C/C(=C\CN)c1c[nH]c2ccccc12.
What is the InChIKey of (E)-3-(1H-indol-3-yl)but-2-en-1-amine?
The InChIKey is IAWQBGZMFFNXNJ-RMKNXTFCSA-N. The full InChI is InChI=1S/C12H14N2/c1-9(6-7-13)11-8-14-12-5-3-2-4-10(11)12/h2-6,8,14H,7,13H2,1H3/b9-6+.
What are the key properties of (E)-3-(1H-indol-3-yl)but-2-en-1-amine?
(E)-3-(1H-indol-3-yl)but-2-en-1-amine has a molecular weight of 186.26 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1H-indol-3-yl)but-2-en-1-amine is sourced from PubChem (CID 75355351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).