[2-(2,5-dihydropyrrol-1-ylmethyl)phenyl]-(3-methylphenyl)methanone

C19H19NO — CID 24725519

IUPAC[2-(2,5-dihydropyrrol-1-ylmethyl)phenyl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)c2ccccc2CN2CC=CC2)c1
InChIInChI=1S/C19H19NO/c1-15-7-6-9-16(13-15)19(21)18-10-3-2-8-17(18)14-20-11-4-5-12-20/h2-10,13H,11-12,14H2,1H3
InChIKeyNIXNGBYMBRZIGH-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.60
Rot. Bonds4

About [2-(2,5-dihydropyrrol-1-ylmethyl)phenyl]-(3-methylphenyl)methanone

[2-(2,5-dihydropyrrol-1-ylmethyl)phenyl]-(3-methylphenyl)methanone (PubChem CID 24725519) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is [2-(2,5-dihydropyrrol-1-ylmethyl)phenyl]-(3-methylphenyl)methanone.

Molecular Properties

Compound Name[2-(2,5-dihydropyrrol-1-ylmethyl)phenyl]-(3-methylphenyl)methanone
PubChem CID24725519
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name[2-(2,5-dihydropyrrol-1-ylmethyl)phenyl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)c2ccccc2CN2CC=CC2)c1
InChIInChI=1S/C19H19NO/c1-15-7-6-9-16(13-15)19(21)18-10-3-2-8-17(18)14-20-11-4-5-12-20/h2-10,13H,11-12,14H2,1H3
InChIKeyNIXNGBYMBRZIGH-UHFFFAOYSA-N
XLogP3.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(2,5-dihydropyrrol-1-ylmethyl)phenyl]-(3-methylphenyl)methanone?
The IUPAC name of [2-(2,5-dihydropyrrol-1-ylmethyl)phenyl]-(3-methylphenyl)methanone (CID 24725519) is [2-(2,5-dihydropyrrol-1-ylmethyl)phenyl]-(3-methylphenyl)methanone.
What is the SMILES notation for [2-(2,5-dihydropyrrol-1-ylmethyl)phenyl]-(3-methylphenyl)methanone?
The canonical SMILES for [2-(2,5-dihydropyrrol-1-ylmethyl)phenyl]-(3-methylphenyl)methanone is Cc1cccc(C(=O)c2ccccc2CN2CC=CC2)c1.
What is the InChIKey of [2-(2,5-dihydropyrrol-1-ylmethyl)phenyl]-(3-methylphenyl)methanone?
The InChIKey is NIXNGBYMBRZIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-15-7-6-9-16(13-15)19(21)18-10-3-2-8-17(18)14-20-11-4-5-12-20/h2-10,13H,11-12,14H2,1H3.
What are the key properties of [2-(2,5-dihydropyrrol-1-ylmethyl)phenyl]-(3-methylphenyl)methanone?
[2-(2,5-dihydropyrrol-1-ylmethyl)phenyl]-(3-methylphenyl)methanone has a molecular weight of 277.37 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dihydropyrrol-1-ylmethyl)phenyl]-(3-methylphenyl)methanone is sourced from PubChem (CID 24725519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).