3-ethyl-2-[(E)-4-methylpent-1-enyl]-1H-indole

C16H21N — CID 172908261

IUPAC3-ethyl-2-[(E)-4-methylpent-1-enyl]-1H-indole
SMILESCCc1c(/C=C/CC(C)C)[nH]c2ccccc12
InChIInChI=1S/C16H21N/c1-4-13-14-9-5-6-10-16(14)17-15(13)11-7-8-12(2)3/h5-7,9-12,17H,4,8H2,1-3H3/b11-7+
InChIKeyKEYNNYDIQZQAIR-YRNVUSSQSA-N
MW227.35 g/mol
LogP4.79
Rot. Bonds4

About 3-ethyl-2-[(E)-4-methylpent-1-enyl]-1H-indole

3-ethyl-2-[(E)-4-methylpent-1-enyl]-1H-indole (PubChem CID 172908261) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-ethyl-2-[(E)-4-methylpent-1-enyl]-1H-indole.

Molecular Properties

Compound Name3-ethyl-2-[(E)-4-methylpent-1-enyl]-1H-indole
PubChem CID172908261
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name3-ethyl-2-[(E)-4-methylpent-1-enyl]-1H-indole
SMILESCCc1c(/C=C/CC(C)C)[nH]c2ccccc12
InChIInChI=1S/C16H21N/c1-4-13-14-9-5-6-10-16(14)17-15(13)11-7-8-12(2)3/h5-7,9-12,17H,4,8H2,1-3H3/b11-7+
InChIKeyKEYNNYDIQZQAIR-YRNVUSSQSA-N
XLogP4.79
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

2,3-diethyl-1H-indole;hydrate
CID 70606554
3-ethyl-2-methyl-1H-indole;propane
CID 156727003
3-ethyl-2-propyl-1H-indole
CID 65335384
3-ethyl-1H-indole-2-carbonitrile
CID 89048363
2-(dimethoxymethyl)-3-ethyl-1H-indole
CID 134907125
2-benzyl-3-ethyl-1H-indole
CID 13115106
1-(3-ethyl-1H-indol-2-yl)-N,N-dimethylmethanamine
CID 71197818
(2R)-1-(2-bromo-1H-indol-3-yl)-N,N-dimethylpropan-2-amine
CID 157042536
bis(9H-carbazole);propane
CID 90987002
3-[(E)-but-1-enyl]-2-propan-2-yl-1H-indole
CID 102241290
2-[2-[(E)-4-phenylbut-1-enyl]-1H-indol-3-yl]acetonitrile
CID 11150357
ethyl 2-[2-[(E)-2-(4-bromophenyl)ethenyl]-1H-indol-3-yl]acetate
CID 132577846

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[(E)-4-methylpent-1-enyl]-1H-indole?
The IUPAC name of 3-ethyl-2-[(E)-4-methylpent-1-enyl]-1H-indole (CID 172908261) is 3-ethyl-2-[(E)-4-methylpent-1-enyl]-1H-indole.
What is the SMILES notation for 3-ethyl-2-[(E)-4-methylpent-1-enyl]-1H-indole?
The canonical SMILES for 3-ethyl-2-[(E)-4-methylpent-1-enyl]-1H-indole is CCc1c(/C=C/CC(C)C)[nH]c2ccccc12.
What is the InChIKey of 3-ethyl-2-[(E)-4-methylpent-1-enyl]-1H-indole?
The InChIKey is KEYNNYDIQZQAIR-YRNVUSSQSA-N. The full InChI is InChI=1S/C16H21N/c1-4-13-14-9-5-6-10-16(14)17-15(13)11-7-8-12(2)3/h5-7,9-12,17H,4,8H2,1-3H3/b11-7+.
What are the key properties of 3-ethyl-2-[(E)-4-methylpent-1-enyl]-1H-indole?
3-ethyl-2-[(E)-4-methylpent-1-enyl]-1H-indole has a molecular weight of 227.35 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[(E)-4-methylpent-1-enyl]-1H-indole is sourced from PubChem (CID 172908261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).