2-cyclohexa-1,5-dien-1-yl-4-phenyl-2H-pyrrole

C16H15N — CID 144876573

IUPAC2-cyclohexa-1,5-dien-1-yl-4-phenyl-2H-pyrrole
SMILESC1=CC(C2C=C(c3ccccc3)C=N2)=CCC1
InChIInChI=1S/C16H15N/c1-3-7-13(8-4-1)15-11-16(17-12-15)14-9-5-2-6-10-14/h1,3-5,7-12,16H,2,6H2
InChIKeyQQMUVXKDAONCJU-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.80
Rot. Bonds2

About 2-cyclohexa-1,5-dien-1-yl-4-phenyl-2H-pyrrole

2-cyclohexa-1,5-dien-1-yl-4-phenyl-2H-pyrrole (PubChem CID 144876573) has the molecular formula C16H15N and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yl-4-phenyl-2H-pyrrole.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-yl-4-phenyl-2H-pyrrole
PubChem CID144876573
Molecular FormulaC16H15N
Molecular Weight221.30 g/mol
Exact Mass221.12
IUPAC Name2-cyclohexa-1,5-dien-1-yl-4-phenyl-2H-pyrrole
SMILESC1=CC(C2C=C(c3ccccc3)C=N2)=CCC1
InChIInChI=1S/C16H15N/c1-3-7-13(8-4-1)15-11-16(17-12-15)14-9-5-2-6-10-14/h1,3-5,7-12,16H,2,6H2
InChIKeyQQMUVXKDAONCJU-UHFFFAOYSA-N
XLogP3.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cyclohexa-1,5-dien-1-ylbenzene;methane
CID 156791104
2-phenylcycloocta-1,3,5-triene
CID 123254366
2-(2-methylphenyl)-4-(4-methylphenyl)-2H-pyrrole
CID 145064414
1-cyclohexa-1,5-dien-1-yl-2,3,4-triphenylbenzene
CID 174079697
2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-phenyl-1,3,5-triazine
CID 146207336
2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-phenylphenyl)-1,3,5-triazine
CID 142451993
2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 144569103
1-cyclohexa-1,5-dien-1-yl-4-[4-[1-(4-phenylphenyl)propyl]phenyl]benzene
CID 144527503
1-cyclohexa-1,5-dien-1-yl-2-methyl-3-phenylbenzene
CID 144787270
4-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-(4-phenylphenyl)pyridine
CID 138636514
2-(3-cyclohexa-1,5-dien-1-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 144909896
(2,2-dibromo-3-cyclohexa-1,5-dien-1-ylcyclopropyl)benzene;ethane
CID 144612266

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-yl-4-phenyl-2H-pyrrole?
The IUPAC name of 2-cyclohexa-1,5-dien-1-yl-4-phenyl-2H-pyrrole (CID 144876573) is 2-cyclohexa-1,5-dien-1-yl-4-phenyl-2H-pyrrole.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yl-4-phenyl-2H-pyrrole?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-yl-4-phenyl-2H-pyrrole is C1=CC(C2C=C(c3ccccc3)C=N2)=CCC1.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-yl-4-phenyl-2H-pyrrole?
The InChIKey is QQMUVXKDAONCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N/c1-3-7-13(8-4-1)15-11-16(17-12-15)14-9-5-2-6-10-14/h1,3-5,7-12,16H,2,6H2.
What are the key properties of 2-cyclohexa-1,5-dien-1-yl-4-phenyl-2H-pyrrole?
2-cyclohexa-1,5-dien-1-yl-4-phenyl-2H-pyrrole has a molecular weight of 221.30 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-yl-4-phenyl-2H-pyrrole is sourced from PubChem (CID 144876573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).