4-(Diphenylmethylidene)-5-methyl-3,4-dihydro-2H-pyrrole

C18H17N — CID 12243344

IUPAC4-benzhydrylidene-5-methyl-2,3-dihydropyrrole
SMILESCC1=NCCC1=C(C2=CC=CC=C2)C3=CC=CC=C3
InChIInChI=1S/C18H17N/c1-14-17(12-13-19-14)18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11H,12-13H2,1H3
InChIKeyIOTANWPGZXCMOF-UHFFFAOYSA-N
MW247.30 g/mol
LogP4.00
Rot. Bonds2

About 4-(Diphenylmethylidene)-5-methyl-3,4-dihydro-2H-pyrrole

4-(Diphenylmethylidene)-5-methyl-3,4-dihydro-2H-pyrrole (PubChem CID 12243344) has the molecular formula C18H17N and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-benzhydrylidene-5-methyl-2,3-dihydropyrrole.

Molecular Properties

Compound Name4-(Diphenylmethylidene)-5-methyl-3,4-dihydro-2H-pyrrole
PubChem CID12243344
Molecular FormulaC18H17N
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name4-benzhydrylidene-5-methyl-2,3-dihydropyrrole
SMILESCC1=NCCC1=C(C2=CC=CC=C2)C3=CC=CC=C3
InChIInChI=1S/C18H17N/c1-14-17(12-13-19-14)18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11H,12-13H2,1H3
InChIKeyIOTANWPGZXCMOF-UHFFFAOYSA-N
XLogP4.00
TPSA12.40 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity345

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(Diphenylmethylidene)-5-methyl-3,4-dihydro-2H-pyrrole?
The IUPAC name of 4-(Diphenylmethylidene)-5-methyl-3,4-dihydro-2H-pyrrole (CID 12243344) is 4-benzhydrylidene-5-methyl-2,3-dihydropyrrole.
What is the SMILES notation for 4-(Diphenylmethylidene)-5-methyl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 4-(Diphenylmethylidene)-5-methyl-3,4-dihydro-2H-pyrrole is CC1=NCCC1=C(C2=CC=CC=C2)C3=CC=CC=C3.
What is the InChIKey of 4-(Diphenylmethylidene)-5-methyl-3,4-dihydro-2H-pyrrole?
The InChIKey is IOTANWPGZXCMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N/c1-14-17(12-13-19-14)18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11H,12-13H2,1H3.
What are the key properties of 4-(Diphenylmethylidene)-5-methyl-3,4-dihydro-2H-pyrrole?
4-(Diphenylmethylidene)-5-methyl-3,4-dihydro-2H-pyrrole has a molecular weight of 247.30 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(Diphenylmethylidene)-5-methyl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 12243344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).