1-cyclopenta-2,4-dien-1-yl-N-[2-(1H-indol-3-yl)ethyl]methanimine

C16H16N2 — CID 24893865

IUPAC1-cyclopenta-2,4-dien-1-yl-N-[2-(1H-indol-3-yl)ethyl]methanimine
SMILESC1=CC(/C=N/CCc2c[nH]c3ccccc23)C=C1
InChIInChI=1S/C16H16N2/c1-2-6-13(5-1)11-17-10-9-14-12-18-16-8-4-3-7-15(14)16/h1-8,11-13,18H,9-10H2/b17-11+
InChIKeyAPIVARAOWDEWMG-GZTJUZNOSA-N
MW236.32 g/mol
LogP3.52
Rot. Bonds4

About 1-cyclopenta-2,4-dien-1-yl-N-[2-(1H-indol-3-yl)ethyl]methanimine

1-cyclopenta-2,4-dien-1-yl-N-[2-(1H-indol-3-yl)ethyl]methanimine (PubChem CID 24893865) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-cyclopenta-2,4-dien-1-yl-N-[2-(1H-indol-3-yl)ethyl]methanimine.

Molecular Properties

Compound Name1-cyclopenta-2,4-dien-1-yl-N-[2-(1H-indol-3-yl)ethyl]methanimine
PubChem CID24893865
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name1-cyclopenta-2,4-dien-1-yl-N-[2-(1H-indol-3-yl)ethyl]methanimine
SMILESC1=CC(/C=N/CCc2c[nH]c3ccccc23)C=C1
InChIInChI=1S/C16H16N2/c1-2-6-13(5-1)11-17-10-9-14-12-18-16-8-4-3-7-15(14)16/h1-8,11-13,18H,9-10H2/b17-11+
InChIKeyAPIVARAOWDEWMG-GZTJUZNOSA-N
XLogP3.52
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-3-phenylpropan-1-imine
CID 10826340
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
3-but-3-enyl-1H-indole
CID 57142098
5-[2-(1H-indol-3-yl)ethyliminomethyl]-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 74687811
3-(1H-indol-3-yl)propane-1,1-diol
CID 22219738
3-[2-(1H-indol-3-yl)ethyliminomethyl]-1-methylindol-2-ol
CID 136935313
(5R)-1-[(2S)-butan-2-yl]-5-[2-(1H-indol-3-yl)ethyliminomethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 7519354
4-[2-(1H-indol-3-yl)ethyl]benzene-1,3-diamine
CID 58608980
4-hydroxy-3-[2-(1H-indol-3-yl)ethyliminomethyl]chromen-2-one
CID 135638614
2-(1H-indol-3-yl)ethanol;nitrous acid
CID 162624024
3-(1H-indol-3-yl)propanoyloxidanium
CID 142492757
3-(1H-indol-3-yl)propanethioamide
CID 3979253

Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-2,4-dien-1-yl-N-[2-(1H-indol-3-yl)ethyl]methanimine?
The IUPAC name of 1-cyclopenta-2,4-dien-1-yl-N-[2-(1H-indol-3-yl)ethyl]methanimine (CID 24893865) is 1-cyclopenta-2,4-dien-1-yl-N-[2-(1H-indol-3-yl)ethyl]methanimine.
What is the SMILES notation for 1-cyclopenta-2,4-dien-1-yl-N-[2-(1H-indol-3-yl)ethyl]methanimine?
The canonical SMILES for 1-cyclopenta-2,4-dien-1-yl-N-[2-(1H-indol-3-yl)ethyl]methanimine is C1=CC(/C=N/CCc2c[nH]c3ccccc23)C=C1.
What is the InChIKey of 1-cyclopenta-2,4-dien-1-yl-N-[2-(1H-indol-3-yl)ethyl]methanimine?
The InChIKey is APIVARAOWDEWMG-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H16N2/c1-2-6-13(5-1)11-17-10-9-14-12-18-16-8-4-3-7-15(14)16/h1-8,11-13,18H,9-10H2/b17-11+.
What are the key properties of 1-cyclopenta-2,4-dien-1-yl-N-[2-(1H-indol-3-yl)ethyl]methanimine?
1-cyclopenta-2,4-dien-1-yl-N-[2-(1H-indol-3-yl)ethyl]methanimine has a molecular weight of 236.32 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-2,4-dien-1-yl-N-[2-(1H-indol-3-yl)ethyl]methanimine is sourced from PubChem (CID 24893865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).