ethane;3-[[2-[(E)-2-(4-methylcyclopenta-1,3-dien-1-yl)ethenyl]-2H-pyrrol-5-yl]methyl]-2,3-dihydropyridine

C20H26N2 — CID 142259552

IUPACethane;3-[[2-[(E)-2-(4-methylcyclopenta-1,3-dien-1-yl)ethenyl]-2H-pyrrol-5-yl]methyl]-2,3-dihydropyridine
SMILESCC.CC1=CC=C(/C=C/C2C=CC(CC3C=CC=NC3)=N2)C1
InChIInChI=1S/C18H20N2.C2H6/c1-14-4-5-15(11-14)6-7-17-8-9-18(20-17)12-16-3-2-10-19-13-16;1-2/h2-10,16-17H,11-13H2,1H3;1-2H3/b7-6+;
InChIKeyLTJNUFVZGBFARN-UHDJGPCESA-N
MW294.44 g/mol
LogP4.87
Rot. Bonds4

About ethane;3-[[2-[(E)-2-(4-methylcyclopenta-1,3-dien-1-yl)ethenyl]-2H-pyrrol-5-yl]methyl]-2,3-dihydropyridine

ethane;3-[[2-[(E)-2-(4-methylcyclopenta-1,3-dien-1-yl)ethenyl]-2H-pyrrol-5-yl]methyl]-2,3-dihydropyridine (PubChem CID 142259552) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is ethane;3-[[2-[(E)-2-(4-methylcyclopenta-1,3-dien-1-yl)ethenyl]-2H-pyrrol-5-yl]methyl]-2,3-dihydropyridine.

Molecular Properties

Compound Nameethane;3-[[2-[(E)-2-(4-methylcyclopenta-1,3-dien-1-yl)ethenyl]-2H-pyrrol-5-yl]methyl]-2,3-dihydropyridine
PubChem CID142259552
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC Nameethane;3-[[2-[(E)-2-(4-methylcyclopenta-1,3-dien-1-yl)ethenyl]-2H-pyrrol-5-yl]methyl]-2,3-dihydropyridine
SMILESCC.CC1=CC=C(/C=C/C2C=CC(CC3C=CC=NC3)=N2)C1
InChIInChI=1S/C18H20N2.C2H6/c1-14-4-5-15(11-14)6-7-17-8-9-18(20-17)12-16-3-2-10-19-13-16;1-2/h2-10,16-17H,11-13H2,1H3;1-2H3/b7-6+;
InChIKeyLTJNUFVZGBFARN-UHDJGPCESA-N
XLogP4.87
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;3-[[2-[(E)-2-(4-methylcyclopenta-1,3-dien-1-yl)ethenyl]-2H-pyrrol-5-yl]methyl]-2,3-dihydropyridine 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

4-(3-fluoro-4-methylcyclopenta-1,4-dien-1-yl)-N-[2-propylimino-1-(2,3,4,5-tetrahydropyridin-3-yl)ethyl]cyclohex-2-en-1-imine
CID 123345292
N-(2-methylhept-1-en-3-yl)-2-(3-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)propan-1-imine
CID 91161503
7-(3,4-Dihydropyridin-5-yl)-2-ethyl-3,3a,4,8a-tetrahydrocyclohepta[b]pyrrole
CID 123908900
5-methyl-3-(6-methylcyclohexa-1,5-dien-1-yl)-4-[(3Z)-4-methylhexa-1,3,5-trien-3-yl]-2H-pyrrole
CID 126563146
(4Z)-4-[(Z)-2,3-dimethylidenehex-4-enylidene]-3-methylidene-4a,8a-dihydroquinoline
CID 132072551
3,5-dimethyl-2-[(Z)-3-methylidenepent-1-enyl]-2,3,4,5-tetrahydropyridine
CID 132149872
3-(2-cyclohexa-1,5-dien-1-yl-3-methyl-2,3-dihydropyridin-5-yl)-N-methylpropan-1-imine
CID 137435393
2,5-di(cyclohexa-2,4-dien-1-yl)-4-ethyl-2H-pyrrole
CID 145055819
4-ethyl-2-[(3E)-hexa-1,3,5-trien-3-yl]-3a,7a-dihydro-3H-indole
CID 145601763
(6Z)-6-[(5Z)-6-ethyl-4-methyl-2-methylidene-4-(methylideneamino)octa-5,7-dienylidene]-N,4-dimethylcyclohexa-2,4-dien-1-imine
CID 156300661
1,2-di(propan-2-yl)cyclopenta-1,3-diene;3,4-di(propan-2-yl)-2H-pyrrole;methane
CID 158176502
1-tert-butylcyclopenta-1,3-diene;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole
CID 159900918

Frequently Asked Questions

What is the IUPAC name of ethane;3-[[2-[(E)-2-(4-methylcyclopenta-1,3-dien-1-yl)ethenyl]-2H-pyrrol-5-yl]methyl]-2,3-dihydropyridine?
The IUPAC name of ethane;3-[[2-[(E)-2-(4-methylcyclopenta-1,3-dien-1-yl)ethenyl]-2H-pyrrol-5-yl]methyl]-2,3-dihydropyridine (CID 142259552) is ethane;3-[[2-[(E)-2-(4-methylcyclopenta-1,3-dien-1-yl)ethenyl]-2H-pyrrol-5-yl]methyl]-2,3-dihydropyridine.
What is the SMILES notation for ethane;3-[[2-[(E)-2-(4-methylcyclopenta-1,3-dien-1-yl)ethenyl]-2H-pyrrol-5-yl]methyl]-2,3-dihydropyridine?
The canonical SMILES for ethane;3-[[2-[(E)-2-(4-methylcyclopenta-1,3-dien-1-yl)ethenyl]-2H-pyrrol-5-yl]methyl]-2,3-dihydropyridine is CC.CC1=CC=C(/C=C/C2C=CC(CC3C=CC=NC3)=N2)C1.
What is the InChIKey of ethane;3-[[2-[(E)-2-(4-methylcyclopenta-1,3-dien-1-yl)ethenyl]-2H-pyrrol-5-yl]methyl]-2,3-dihydropyridine?
The InChIKey is LTJNUFVZGBFARN-UHDJGPCESA-N. The full InChI is InChI=1S/C18H20N2.C2H6/c1-14-4-5-15(11-14)6-7-17-8-9-18(20-17)12-16-3-2-10-19-13-16;1-2/h2-10,16-17H,11-13H2,1H3;1-2H3/b7-6+;.
What are the key properties of ethane;3-[[2-[(E)-2-(4-methylcyclopenta-1,3-dien-1-yl)ethenyl]-2H-pyrrol-5-yl]methyl]-2,3-dihydropyridine?
ethane;3-[[2-[(E)-2-(4-methylcyclopenta-1,3-dien-1-yl)ethenyl]-2H-pyrrol-5-yl]methyl]-2,3-dihydropyridine has a molecular weight of 294.44 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[[2-[(E)-2-(4-methylcyclopenta-1,3-dien-1-yl)ethenyl]-2H-pyrrol-5-yl]methyl]-2,3-dihydropyridine is sourced from PubChem (CID 142259552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).