3-ethyl-5-methyl-2-[(1Z)-3-methylbuta-1,3-dienyl]-1H-indole

C16H19N — CID 155199348

IUPAC3-ethyl-5-methyl-2-[(1Z)-3-methylbuta-1,3-dienyl]-1H-indole
SMILESC=C(C)/C=C\c1[nH]c2ccc(C)cc2c1CC
InChIInChI=1S/C16H19N/c1-5-13-14-10-12(4)7-9-16(14)17-15(13)8-6-11(2)3/h6-10,17H,2,5H2,1,3-4H3/b8-6-
InChIKeyANVPKYPKGIPEEB-VURMDHGXSA-N
MW225.33 g/mol
LogP4.63
Rot. Bonds3

About 3-ethyl-5-methyl-2-[(1Z)-3-methylbuta-1,3-dienyl]-1H-indole

3-ethyl-5-methyl-2-[(1Z)-3-methylbuta-1,3-dienyl]-1H-indole (PubChem CID 155199348) has the molecular formula C16H19N and a molecular weight of 225.33 g/mol. Its IUPAC name is 3-ethyl-5-methyl-2-[(1Z)-3-methylbuta-1,3-dienyl]-1H-indole.

Molecular Properties

Compound Name3-ethyl-5-methyl-2-[(1Z)-3-methylbuta-1,3-dienyl]-1H-indole
PubChem CID155199348
Molecular FormulaC16H19N
Molecular Weight225.33 g/mol
Exact Mass225.15
IUPAC Name3-ethyl-5-methyl-2-[(1Z)-3-methylbuta-1,3-dienyl]-1H-indole
SMILESC=C(C)/C=C\c1[nH]c2ccc(C)cc2c1CC
InChIInChI=1S/C16H19N/c1-5-13-14-10-12(4)7-9-16(14)17-15(13)8-6-11(2)3/h6-10,17H,2,5H2,1,3-4H3/b8-6-
InChIKeyANVPKYPKGIPEEB-VURMDHGXSA-N
XLogP4.63
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,6-dimethyl-9H-carbazole
CID 144942624
4,5-diethyl-2-prop-1-en-2-yl-1H-indole
CID 166890019
ethane;3-ethyl-5-methyl-2-propyl-1H-indole;(Z)-N-methyl-2-prop-1-en-2-ylbut-2-en-1-imine;toluene
CID 153392489
2-ethyl-3,5-dimethyl-1H-indole
CID 1209049
2,7-dimethyl-10H-acridin-9-one
CID 13293445
2-(3-amino-6-methyl-2-oxo-1H-quinolin-4-yl)acetic acid
CID 115038738
4-ethyl-5-methyl-1H-indole-2-carboxylic acid
CID 21396319
3-amino-5-methyl-1H-indole-2-carbohydrazide
CID 933858
ethyl 3-[(dimethylamino)methyl]-5-methyl-1H-indole-2-carboxylate
CID 938498
3-ethenyl-6-methyl-2-oxo-1H-quinoline-4-carboxylic acid
CID 13445599
2,8-dimethyl-5,11-dihydroquinolino[3,2-b]quinoline-6,12-dione
CID 24764365
1,2-diethyl-4-methylbenzene;ethane;methyl(prop-1-en-2-yl)phosphane
CID 143738826

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-2-[(1Z)-3-methylbuta-1,3-dienyl]-1H-indole?
The IUPAC name of 3-ethyl-5-methyl-2-[(1Z)-3-methylbuta-1,3-dienyl]-1H-indole (CID 155199348) is 3-ethyl-5-methyl-2-[(1Z)-3-methylbuta-1,3-dienyl]-1H-indole.
What is the SMILES notation for 3-ethyl-5-methyl-2-[(1Z)-3-methylbuta-1,3-dienyl]-1H-indole?
The canonical SMILES for 3-ethyl-5-methyl-2-[(1Z)-3-methylbuta-1,3-dienyl]-1H-indole is C=C(C)/C=C\c1[nH]c2ccc(C)cc2c1CC.
What is the InChIKey of 3-ethyl-5-methyl-2-[(1Z)-3-methylbuta-1,3-dienyl]-1H-indole?
The InChIKey is ANVPKYPKGIPEEB-VURMDHGXSA-N. The full InChI is InChI=1S/C16H19N/c1-5-13-14-10-12(4)7-9-16(14)17-15(13)8-6-11(2)3/h6-10,17H,2,5H2,1,3-4H3/b8-6-.
What are the key properties of 3-ethyl-5-methyl-2-[(1Z)-3-methylbuta-1,3-dienyl]-1H-indole?
3-ethyl-5-methyl-2-[(1Z)-3-methylbuta-1,3-dienyl]-1H-indole has a molecular weight of 225.33 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-2-[(1Z)-3-methylbuta-1,3-dienyl]-1H-indole is sourced from PubChem (CID 155199348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).