2-(4-methoxypenta-1,4-dienyl)-1H-indole

C14H15NO — CID 142763611

IUPAC2-(4-methoxypenta-1,4-dienyl)-1H-indole
SMILESC=C(CC=Cc1cc2ccccc2[nH]1)OC
InChIInChI=1S/C14H15NO/c1-11(16-2)6-5-8-13-10-12-7-3-4-9-14(12)15-13/h3-5,7-10,15H,1,6H2,2H3
InChIKeyUTLPASYUMOZKCG-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.73
Rot. Bonds4

About 2-(4-methoxypenta-1,4-dienyl)-1H-indole

2-(4-methoxypenta-1,4-dienyl)-1H-indole (PubChem CID 142763611) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-(4-methoxypenta-1,4-dienyl)-1H-indole.

Molecular Properties

Compound Name2-(4-methoxypenta-1,4-dienyl)-1H-indole
PubChem CID142763611
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name2-(4-methoxypenta-1,4-dienyl)-1H-indole
SMILESC=C(CC=Cc1cc2ccccc2[nH]1)OC
InChIInChI=1S/C14H15NO/c1-11(16-2)6-5-8-13-10-12-7-3-4-9-14(12)15-13/h3-5,7-10,15H,1,6H2,2H3
InChIKeyUTLPASYUMOZKCG-UHFFFAOYSA-N
XLogP3.73
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 2-(4-methoxypenta-1,4-dienyl)-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;[(E)-3-(1H-indol-2-yl)prop-2-enyl] acetate
CID 143581966
ethane;2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-indole
CID 143581960
2-[(E)-dec-1-enyl]-1H-indole
CID 118043504
(2Z,4E)-5-(1H-indol-2-yl)-2-methoxypenta-2,4-dienoic acid
CID 19610387
ethane;ethyl (E)-3-(1H-indol-2-yl)prop-2-enoate
CID 145445804
methyl (Z)-2-chloro-3-(1H-indol-2-yl)prop-2-enoate
CID 23544871
methyl 2-(1H-indol-2-ylmethyl)prop-2-enoate
CID 68733352
ethane;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole
CID 143924426
N-methoxy-1H-indol-2-amine;dihydrobromide
CID 140506917
methyl 2-(1H-indol-2-yloxy)acetate
CID 67824553
(E)-3-(1H-indol-2-yl)-2-methylprop-2-enal
CID 142626231
(3Z,6Z)-3-(1H-indol-2-ylmethylidene)-6-[(4-methoxyphenyl)methylidene]piperazine-2,5-dione
CID 67581529

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxypenta-1,4-dienyl)-1H-indole?
The IUPAC name of 2-(4-methoxypenta-1,4-dienyl)-1H-indole (CID 142763611) is 2-(4-methoxypenta-1,4-dienyl)-1H-indole.
What is the SMILES notation for 2-(4-methoxypenta-1,4-dienyl)-1H-indole?
The canonical SMILES for 2-(4-methoxypenta-1,4-dienyl)-1H-indole is C=C(CC=Cc1cc2ccccc2[nH]1)OC.
What is the InChIKey of 2-(4-methoxypenta-1,4-dienyl)-1H-indole?
The InChIKey is UTLPASYUMOZKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-11(16-2)6-5-8-13-10-12-7-3-4-9-14(12)15-13/h3-5,7-10,15H,1,6H2,2H3.
What are the key properties of 2-(4-methoxypenta-1,4-dienyl)-1H-indole?
2-(4-methoxypenta-1,4-dienyl)-1H-indole has a molecular weight of 213.28 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxypenta-1,4-dienyl)-1H-indole is sourced from PubChem (CID 142763611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).