2-[(1Z)-buta-1,3-dienyl]-3-ethenyl-1-ethylindole

C16H17N — CID 137419756

IUPAC2-[(1Z)-buta-1,3-dienyl]-3-ethenyl-1-ethylindole
SMILESC=C/C=C\c1c(C=C)c2ccccc2n1CC
InChIInChI=1S/C16H17N/c1-4-7-11-15-13(5-2)14-10-8-9-12-16(14)17(15)6-3/h4-5,7-12H,1-2,6H2,3H3/b11-7-
InChIKeyVAHBYUGWWUCICG-XFFZJAGNSA-N
MW223.32 g/mol
LogP4.50
Rot. Bonds4

About 2-[(1Z)-buta-1,3-dienyl]-3-ethenyl-1-ethylindole

2-[(1Z)-buta-1,3-dienyl]-3-ethenyl-1-ethylindole (PubChem CID 137419756) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[(1Z)-buta-1,3-dienyl]-3-ethenyl-1-ethylindole.

Molecular Properties

Compound Name2-[(1Z)-buta-1,3-dienyl]-3-ethenyl-1-ethylindole
PubChem CID137419756
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name2-[(1Z)-buta-1,3-dienyl]-3-ethenyl-1-ethylindole
SMILESC=C/C=C\c1c(C=C)c2ccccc2n1CC
InChIInChI=1S/C16H17N/c1-4-7-11-15-13(5-2)14-10-8-9-12-16(14)17(15)6-3/h4-5,7-12H,1-2,6H2,3H3/b11-7-
InChIKeyVAHBYUGWWUCICG-XFFZJAGNSA-N
XLogP4.50
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2-dimethylpropyl)-2,3-bis(ethenyl)indole
CID 174116280
2-[2,3-bis(ethenyl)indol-1-yl]-N,N-diethylethanamine
CID 143973355
2,3-bis(ethenyl)-1-(2-iodopropan-2-yl)indole
CID 166663898
N-[(1E)-buta-1,3-dienyl]-9-ethylcarbazol-3-amine
CID 144914531
(2E)-1-ethyl-3-methylidene-2-prop-2-enylideneindole
CID 126631875
6-bromo-2,3-bis(ethenyl)-1-ethylindole
CID 178034709
1-ethyl-3-fluoroindole-2-carbaldehyde
CID 89272565
2-ethenyl-3-[(Z)-prop-1-enyl]-1-prop-2-ynylindole
CID 155470797
1-ethyl-3-[2-(1-ethyl-2-methylindol-3-yl)ethenyl]-2-phenylindole
CID 54192979
(Z)-N-(1-ethyl-3-methylindol-2-yl)prop-2-en-1-imine
CID 171072973
1-ethenyl-9-ethylpyrido[3,4-b]indole
CID 169091277
2,3-bis(ethenyl)-1-(4-methylphenyl)indole
CID 91187792

Frequently Asked Questions

What is the IUPAC name of 2-[(1Z)-buta-1,3-dienyl]-3-ethenyl-1-ethylindole?
The IUPAC name of 2-[(1Z)-buta-1,3-dienyl]-3-ethenyl-1-ethylindole (CID 137419756) is 2-[(1Z)-buta-1,3-dienyl]-3-ethenyl-1-ethylindole.
What is the SMILES notation for 2-[(1Z)-buta-1,3-dienyl]-3-ethenyl-1-ethylindole?
The canonical SMILES for 2-[(1Z)-buta-1,3-dienyl]-3-ethenyl-1-ethylindole is C=C/C=C\c1c(C=C)c2ccccc2n1CC.
What is the InChIKey of 2-[(1Z)-buta-1,3-dienyl]-3-ethenyl-1-ethylindole?
The InChIKey is VAHBYUGWWUCICG-XFFZJAGNSA-N. The full InChI is InChI=1S/C16H17N/c1-4-7-11-15-13(5-2)14-10-8-9-12-16(14)17(15)6-3/h4-5,7-12H,1-2,6H2,3H3/b11-7-.
What are the key properties of 2-[(1Z)-buta-1,3-dienyl]-3-ethenyl-1-ethylindole?
2-[(1Z)-buta-1,3-dienyl]-3-ethenyl-1-ethylindole has a molecular weight of 223.32 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1Z)-buta-1,3-dienyl]-3-ethenyl-1-ethylindole is sourced from PubChem (CID 137419756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).