4-cyclohepta-2,4,6-trien-1-yl-2-methyl-5-phenyl-2H-pyrrole

C18H17N — CID 101436731

IUPAC4-cyclohepta-2,4,6-trien-1-yl-2-methyl-5-phenyl-2H-pyrrole
SMILESCC1C=C(C2C=CC=CC=C2)C(c2ccccc2)=N1
InChIInChI=1S/C18H17N/c1-14-13-17(15-9-5-2-3-6-10-15)18(19-14)16-11-7-4-8-12-16/h2-15H,1H3
InChIKeyBXNWWCRQMIEHMW-UHFFFAOYSA-N
MW247.34 g/mol
LogP4.10
Rot. Bonds2

About 4-cyclohepta-2,4,6-trien-1-yl-2-methyl-5-phenyl-2H-pyrrole

4-cyclohepta-2,4,6-trien-1-yl-2-methyl-5-phenyl-2H-pyrrole (PubChem CID 101436731) has the molecular formula C18H17N and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-cyclohepta-2,4,6-trien-1-yl-2-methyl-5-phenyl-2H-pyrrole.

Molecular Properties

Compound Name4-cyclohepta-2,4,6-trien-1-yl-2-methyl-5-phenyl-2H-pyrrole
PubChem CID101436731
Molecular FormulaC18H17N
Molecular Weight247.34 g/mol
Exact Mass247.14
IUPAC Name4-cyclohepta-2,4,6-trien-1-yl-2-methyl-5-phenyl-2H-pyrrole
SMILESCC1C=C(C2C=CC=CC=C2)C(c2ccccc2)=N1
InChIInChI=1S/C18H17N/c1-14-13-17(15-9-5-2-3-6-10-15)18(19-14)16-11-7-4-8-12-16/h2-15H,1H3
InChIKeyBXNWWCRQMIEHMW-UHFFFAOYSA-N
XLogP4.10
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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7-cyclopenta-2,4-dien-1-yl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
CID 164575676
2-methyl-4,5-diphenyl-9a,9b-dihydro-5aH-benzo[g]indole
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CID 154176145
4-methyl-3-phenylcyclobut-2-en-1-ol
CID 123879826
3-cyclopenta-2,4-dien-1-yl-5-methyl-1-(4-phenylphenyl)pyrazole
CID 132606805
benzene;1,1'-biphenyl;ethane
CID 158550617
(3-phenylcyclopenta-1,4-dien-1-yl)benzene
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CID 157468333

Frequently Asked Questions

What is the IUPAC name of 4-cyclohepta-2,4,6-trien-1-yl-2-methyl-5-phenyl-2H-pyrrole?
The IUPAC name of 4-cyclohepta-2,4,6-trien-1-yl-2-methyl-5-phenyl-2H-pyrrole (CID 101436731) is 4-cyclohepta-2,4,6-trien-1-yl-2-methyl-5-phenyl-2H-pyrrole.
What is the SMILES notation for 4-cyclohepta-2,4,6-trien-1-yl-2-methyl-5-phenyl-2H-pyrrole?
The canonical SMILES for 4-cyclohepta-2,4,6-trien-1-yl-2-methyl-5-phenyl-2H-pyrrole is CC1C=C(C2C=CC=CC=C2)C(c2ccccc2)=N1.
What is the InChIKey of 4-cyclohepta-2,4,6-trien-1-yl-2-methyl-5-phenyl-2H-pyrrole?
The InChIKey is BXNWWCRQMIEHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N/c1-14-13-17(15-9-5-2-3-6-10-15)18(19-14)16-11-7-4-8-12-16/h2-15H,1H3.
What are the key properties of 4-cyclohepta-2,4,6-trien-1-yl-2-methyl-5-phenyl-2H-pyrrole?
4-cyclohepta-2,4,6-trien-1-yl-2-methyl-5-phenyl-2H-pyrrole has a molecular weight of 247.34 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohepta-2,4,6-trien-1-yl-2-methyl-5-phenyl-2H-pyrrole is sourced from PubChem (CID 101436731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).