4-(1H-indol-5-yl)but-3-en-1-amine

C12H14N2 — CID 170487084

IUPAC4-(1H-indol-5-yl)but-3-en-1-amine
SMILESNCCC=Cc1ccc2[nH]ccc2c1
InChIInChI=1S/C12H14N2/c13-7-2-1-3-10-4-5-12-11(9-10)6-8-14-12/h1,3-6,8-9,14H,2,7,13H2
InChIKeyQGYYBZRVKFOMCD-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.53
Rot. Bonds3

About 4-(1H-indol-5-yl)but-3-en-1-amine

4-(1H-indol-5-yl)but-3-en-1-amine (PubChem CID 170487084) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 4-(1H-indol-5-yl)but-3-en-1-amine.

Molecular Properties

Compound Name4-(1H-indol-5-yl)but-3-en-1-amine
PubChem CID170487084
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name4-(1H-indol-5-yl)but-3-en-1-amine
SMILESNCCC=Cc1ccc2[nH]ccc2c1
InChIInChI=1S/C12H14N2/c13-7-2-1-3-10-4-5-12-11(9-10)6-8-14-12/h1,3-6,8-9,14H,2,7,13H2
InChIKeyQGYYBZRVKFOMCD-UHFFFAOYSA-N
XLogP2.53
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
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

(E)-3-(1H-indol-5-yl)prop-2-en-1-amine
CID 117276942
5-(4-bromobut-1-enyl)-1H-indole
CID 170497591
N-[4-(1H-indol-5-yl)but-3-enyl]acetamide
CID 170488817
5-[(Z)-2-chloroethenyl]-1H-indole
CID 145444556
3-(1H-indol-6-yl)prop-2-en-1-amine
CID 169463691
5-(3-azidoprop-1-enyl)-1H-indole
CID 169461878
5-(2-nitroethenyl)-1H-indole
CID 54465016
S-[3-(1H-indol-5-yl)prop-2-enyl] ethanethioate
CID 169457351
5-[(E)-2-(4-iodophenyl)ethenyl]-1H-indole
CID 135043581
4-(1H-indol-6-yl)but-3-en-1-ol
CID 170476703
5-[(E)-3-(sulfinoamino)prop-1-enyl]-1H-indole
CID 89272280
5-(2-pyridin-4-ylethenyl)-1H-indole
CID 54050993

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-5-yl)but-3-en-1-amine?
The IUPAC name of 4-(1H-indol-5-yl)but-3-en-1-amine (CID 170487084) is 4-(1H-indol-5-yl)but-3-en-1-amine.
What is the SMILES notation for 4-(1H-indol-5-yl)but-3-en-1-amine?
The canonical SMILES for 4-(1H-indol-5-yl)but-3-en-1-amine is NCCC=Cc1ccc2[nH]ccc2c1.
What is the InChIKey of 4-(1H-indol-5-yl)but-3-en-1-amine?
The InChIKey is QGYYBZRVKFOMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c13-7-2-1-3-10-4-5-12-11(9-10)6-8-14-12/h1,3-6,8-9,14H,2,7,13H2.
What are the key properties of 4-(1H-indol-5-yl)but-3-en-1-amine?
4-(1H-indol-5-yl)but-3-en-1-amine has a molecular weight of 186.26 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-5-yl)but-3-en-1-amine is sourced from PubChem (CID 170487084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).