5-pent-3-enyl-1H-indole

C13H15N — CID 54525376

IUPAC5-pent-3-enyl-1H-indole
SMILESCC=CCCc1ccc2[nH]ccc2c1
InChIInChI=1S/C13H15N/c1-2-3-4-5-11-6-7-13-12(10-11)8-9-14-13/h2-3,6-10,14H,4-5H2,1H3
InChIKeyPORNPSWKPLHYBV-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.68
Rot. Bonds3

About 5-pent-3-enyl-1H-indole

5-pent-3-enyl-1H-indole (PubChem CID 54525376) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 5-pent-3-enyl-1H-indole.

Molecular Properties

Compound Name5-pent-3-enyl-1H-indole
PubChem CID54525376
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name5-pent-3-enyl-1H-indole
SMILESCC=CCCc1ccc2[nH]ccc2c1
InChIInChI=1S/C13H15N/c1-2-3-4-5-11-6-7-13-12(10-11)8-9-14-13/h2-3,6-10,14H,4-5H2,1H3
InChIKeyPORNPSWKPLHYBV-UHFFFAOYSA-N
XLogP3.68
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(1H-indol-5-yl)-N-methylethanamine
CID 82374641
5-(4-methylpentyl)-1H-indole
CID 143660626
1-(1H-indol-5-yl)-4-methylpentan-3-one
CID 22572822
ethyl 3-(1H-indol-5-yl)propanoate
CID 73357468
5-[2-(3,4,5-trimethoxyphenyl)ethyl]-1H-indole
CID 66726497
5-(ethylsulfonylmethyl)-1H-indole
CID 67811404
1-(1H-indol-5-yl)-2-methylpropan-2-ol
CID 117119070
N-(1H-indol-5-ylmethyl)prop-2-en-1-amine
CID 53274484
1-pent-3-enyl-4-(4-pent-3-enylphenyl)benzene
CID 76695097
N-(1H-indol-5-ylmethyl)but-2-yn-1-amine
CID 102911910
2-(1H-indol-5-yl)ethylperoxyphosphinous acid
CID 163564791
4-[4-[2-(1H-indol-5-yl)ethoxy]phenyl]butan-2-one
CID 175853816

Frequently Asked Questions

What is the IUPAC name of 5-pent-3-enyl-1H-indole?
The IUPAC name of 5-pent-3-enyl-1H-indole (CID 54525376) is 5-pent-3-enyl-1H-indole.
What is the SMILES notation for 5-pent-3-enyl-1H-indole?
The canonical SMILES for 5-pent-3-enyl-1H-indole is CC=CCCc1ccc2[nH]ccc2c1.
What is the InChIKey of 5-pent-3-enyl-1H-indole?
The InChIKey is PORNPSWKPLHYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-2-3-4-5-11-6-7-13-12(10-11)8-9-14-13/h2-3,6-10,14H,4-5H2,1H3.
What are the key properties of 5-pent-3-enyl-1H-indole?
5-pent-3-enyl-1H-indole has a molecular weight of 185.27 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pent-3-enyl-1H-indole is sourced from PubChem (CID 54525376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).