2,5-di(cyclohexa-2,4-dien-1-yl)-4-ethyl-2H-pyrrole

C18H21N — CID 145055819

IUPAC2,5-di(cyclohexa-2,4-dien-1-yl)-4-ethyl-2H-pyrrole
SMILESCCC1=CC(C2C=CC=CC2)N=C1C1C=CC=CC1
InChIInChI=1S/C18H21N/c1-2-14-13-17(15-9-5-3-6-10-15)19-18(14)16-11-7-4-8-12-16/h3-9,11,13,15-17H,2,10,12H2,1H3
InChIKeyIASFXBGVVXYRIH-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.41
Rot. Bonds3

About 2,5-di(cyclohexa-2,4-dien-1-yl)-4-ethyl-2H-pyrrole

2,5-di(cyclohexa-2,4-dien-1-yl)-4-ethyl-2H-pyrrole (PubChem CID 145055819) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 2,5-di(cyclohexa-2,4-dien-1-yl)-4-ethyl-2H-pyrrole.

Molecular Properties

Compound Name2,5-di(cyclohexa-2,4-dien-1-yl)-4-ethyl-2H-pyrrole
PubChem CID145055819
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name2,5-di(cyclohexa-2,4-dien-1-yl)-4-ethyl-2H-pyrrole
SMILESCCC1=CC(C2C=CC=CC2)N=C1C1C=CC=CC1
InChIInChI=1S/C18H21N/c1-2-14-13-17(15-9-5-3-6-10-15)19-18(14)16-11-7-4-8-12-16/h3-9,11,13,15-17H,2,10,12H2,1H3
InChIKeyIASFXBGVVXYRIH-UHFFFAOYSA-N
XLogP4.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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
5-ethenyl-3-[3-(6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)propyl]-2H-pyrrole
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2-methyl-3,3a-dihydro-2H-indole
CID 57683757
2,3,5-tri(propan-2-yl)-2H-pyrrole
CID 58164648
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Frequently Asked Questions

What is the IUPAC name of 2,5-di(cyclohexa-2,4-dien-1-yl)-4-ethyl-2H-pyrrole?
The IUPAC name of 2,5-di(cyclohexa-2,4-dien-1-yl)-4-ethyl-2H-pyrrole (CID 145055819) is 2,5-di(cyclohexa-2,4-dien-1-yl)-4-ethyl-2H-pyrrole.
What is the SMILES notation for 2,5-di(cyclohexa-2,4-dien-1-yl)-4-ethyl-2H-pyrrole?
The canonical SMILES for 2,5-di(cyclohexa-2,4-dien-1-yl)-4-ethyl-2H-pyrrole is CCC1=CC(C2C=CC=CC2)N=C1C1C=CC=CC1.
What is the InChIKey of 2,5-di(cyclohexa-2,4-dien-1-yl)-4-ethyl-2H-pyrrole?
The InChIKey is IASFXBGVVXYRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-2-14-13-17(15-9-5-3-6-10-15)19-18(14)16-11-7-4-8-12-16/h3-9,11,13,15-17H,2,10,12H2,1H3.
What are the key properties of 2,5-di(cyclohexa-2,4-dien-1-yl)-4-ethyl-2H-pyrrole?
2,5-di(cyclohexa-2,4-dien-1-yl)-4-ethyl-2H-pyrrole has a molecular weight of 251.37 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(cyclohexa-2,4-dien-1-yl)-4-ethyl-2H-pyrrole is sourced from PubChem (CID 145055819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).