2,5-dihydropyrrol-1-yl-[4-methyl-3-(2-methylphenyl)phenyl]methanone

C19H19NO — CID 119057480

IUPAC2,5-dihydropyrrol-1-yl-[4-methyl-3-(2-methylphenyl)phenyl]methanone
SMILESCc1ccccc1-c1cc(C(=O)N2CC=CC2)ccc1C
InChIInChI=1S/C19H19NO/c1-14-7-3-4-8-17(14)18-13-16(10-9-15(18)2)19(21)20-11-5-6-12-20/h3-10,13H,11-12H2,1-2H3
InChIKeyNIOIWNZLGVRPNS-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.98
Rot. Bonds2

About 2,5-dihydropyrrol-1-yl-[4-methyl-3-(2-methylphenyl)phenyl]methanone

2,5-dihydropyrrol-1-yl-[4-methyl-3-(2-methylphenyl)phenyl]methanone (PubChem CID 119057480) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 2,5-dihydropyrrol-1-yl-[4-methyl-3-(2-methylphenyl)phenyl]methanone.

Molecular Properties

Compound Name2,5-dihydropyrrol-1-yl-[4-methyl-3-(2-methylphenyl)phenyl]methanone
PubChem CID119057480
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name2,5-dihydropyrrol-1-yl-[4-methyl-3-(2-methylphenyl)phenyl]methanone
SMILESCc1ccccc1-c1cc(C(=O)N2CC=CC2)ccc1C
InChIInChI=1S/C19H19NO/c1-14-7-3-4-8-17(14)18-13-16(10-9-15(18)2)19(21)20-11-5-6-12-20/h3-10,13H,11-12H2,1-2H3
InChIKeyNIOIWNZLGVRPNS-UHFFFAOYSA-N
XLogP3.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dihydropyrrol-1-yl-[4-methyl-3-(2-methylphenyl)phenyl]methanone?
The IUPAC name of 2,5-dihydropyrrol-1-yl-[4-methyl-3-(2-methylphenyl)phenyl]methanone (CID 119057480) is 2,5-dihydropyrrol-1-yl-[4-methyl-3-(2-methylphenyl)phenyl]methanone.
What is the SMILES notation for 2,5-dihydropyrrol-1-yl-[4-methyl-3-(2-methylphenyl)phenyl]methanone?
The canonical SMILES for 2,5-dihydropyrrol-1-yl-[4-methyl-3-(2-methylphenyl)phenyl]methanone is Cc1ccccc1-c1cc(C(=O)N2CC=CC2)ccc1C.
What is the InChIKey of 2,5-dihydropyrrol-1-yl-[4-methyl-3-(2-methylphenyl)phenyl]methanone?
The InChIKey is NIOIWNZLGVRPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-14-7-3-4-8-17(14)18-13-16(10-9-15(18)2)19(21)20-11-5-6-12-20/h3-10,13H,11-12H2,1-2H3.
What are the key properties of 2,5-dihydropyrrol-1-yl-[4-methyl-3-(2-methylphenyl)phenyl]methanone?
2,5-dihydropyrrol-1-yl-[4-methyl-3-(2-methylphenyl)phenyl]methanone has a molecular weight of 277.37 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydropyrrol-1-yl-[4-methyl-3-(2-methylphenyl)phenyl]methanone is sourced from PubChem (CID 119057480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).