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

C18H20N2 — CID 142259553

IUPAC3-[[2-[(E)-2-(4-methylcyclopenta-1,3-dien-1-yl)ethenyl]-2H-pyrrol-5-yl]methyl]-2,3-dihydropyridine
SMILESCC1=CC=C(/C=C/C2C=CC(CC3C=CC=NC3)=N2)C1
InChIInChI=1S/C18H20N2/c1-14-4-5-15(11-14)6-7-17-8-9-18(20-17)12-16-3-2-10-19-13-16/h2-10,16-17H,11-13H2,1H3/b7-6+
InChIKeyNCKLZRVAIDKMSQ-VOTSOKGWSA-N
MW264.37 g/mol
LogP3.85
Rot. Bonds4

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

3-[[2-[(E)-2-(4-methylcyclopenta-1,3-dien-1-yl)ethenyl]-2H-pyrrol-5-yl]methyl]-2,3-dihydropyridine (PubChem CID 142259553) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-[[2-[(E)-2-(4-methylcyclopenta-1,3-dien-1-yl)ethenyl]-2H-pyrrol-5-yl]methyl]-2,3-dihydropyridine.

Molecular Properties

Compound Name3-[[2-[(E)-2-(4-methylcyclopenta-1,3-dien-1-yl)ethenyl]-2H-pyrrol-5-yl]methyl]-2,3-dihydropyridine
PubChem CID142259553
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name3-[[2-[(E)-2-(4-methylcyclopenta-1,3-dien-1-yl)ethenyl]-2H-pyrrol-5-yl]methyl]-2,3-dihydropyridine
SMILESCC1=CC=C(/C=C/C2C=CC(CC3C=CC=NC3)=N2)C1
InChIInChI=1S/C18H20N2/c1-14-4-5-15(11-14)6-7-17-8-9-18(20-17)12-16-3-2-10-19-13-16/h2-10,16-17H,11-13H2,1H3/b7-6+
InChIKeyNCKLZRVAIDKMSQ-VOTSOKGWSA-N
XLogP3.85
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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
ethane;3-[[2-[(E)-2-(4-methylcyclopenta-1,3-dien-1-yl)ethenyl]-2H-pyrrol-5-yl]methyl]-2,3-dihydropyridine
CID 142259552
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

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(E)-2-(4-methylcyclopenta-1,3-dien-1-yl)ethenyl]-2H-pyrrol-5-yl]methyl]-2,3-dihydropyridine?
The IUPAC name of 3-[[2-[(E)-2-(4-methylcyclopenta-1,3-dien-1-yl)ethenyl]-2H-pyrrol-5-yl]methyl]-2,3-dihydropyridine (CID 142259553) is 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 3-[[2-[(E)-2-(4-methylcyclopenta-1,3-dien-1-yl)ethenyl]-2H-pyrrol-5-yl]methyl]-2,3-dihydropyridine?
The canonical SMILES for 3-[[2-[(E)-2-(4-methylcyclopenta-1,3-dien-1-yl)ethenyl]-2H-pyrrol-5-yl]methyl]-2,3-dihydropyridine is CC1=CC=C(/C=C/C2C=CC(CC3C=CC=NC3)=N2)C1.
What is the InChIKey of 3-[[2-[(E)-2-(4-methylcyclopenta-1,3-dien-1-yl)ethenyl]-2H-pyrrol-5-yl]methyl]-2,3-dihydropyridine?
The InChIKey is NCKLZRVAIDKMSQ-VOTSOKGWSA-N. The full InChI is InChI=1S/C18H20N2/c1-14-4-5-15(11-14)6-7-17-8-9-18(20-17)12-16-3-2-10-19-13-16/h2-10,16-17H,11-13H2,1H3/b7-6+.
What are the key properties of 3-[[2-[(E)-2-(4-methylcyclopenta-1,3-dien-1-yl)ethenyl]-2H-pyrrol-5-yl]methyl]-2,3-dihydropyridine?
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 264.37 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 142259553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).