1-(4-methylphenyl)-2-[5-(4-methylphenyl)-3,4-dihydro-2H-pyrrol-2-yl]ethanone

C20H21NO — CID 15265007

IUPAC1-(4-methylphenyl)-2-[5-(4-methylphenyl)-3,4-dihydro-2H-pyrrol-2-yl]ethanone
SMILESCc1ccc(C(=O)CC2CCC(c3ccc(C)cc3)=N2)cc1
InChIInChI=1S/C20H21NO/c1-14-3-7-16(8-4-14)19-12-11-18(21-19)13-20(22)17-9-5-15(2)6-10-17/h3-10,18H,11-13H2,1-2H3
InChIKeyYKMNRDANAUVWDG-UHFFFAOYSA-N
MW291.39 g/mol
LogP4.53
Rot. Bonds4

About 1-(4-methylphenyl)-2-[5-(4-methylphenyl)-3,4-dihydro-2H-pyrrol-2-yl]ethanone

1-(4-methylphenyl)-2-[5-(4-methylphenyl)-3,4-dihydro-2H-pyrrol-2-yl]ethanone (PubChem CID 15265007) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-[5-(4-methylphenyl)-3,4-dihydro-2H-pyrrol-2-yl]ethanone.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-[5-(4-methylphenyl)-3,4-dihydro-2H-pyrrol-2-yl]ethanone
PubChem CID15265007
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name1-(4-methylphenyl)-2-[5-(4-methylphenyl)-3,4-dihydro-2H-pyrrol-2-yl]ethanone
SMILESCc1ccc(C(=O)CC2CCC(c3ccc(C)cc3)=N2)cc1
InChIInChI=1S/C20H21NO/c1-14-3-7-16(8-4-14)19-12-11-18(21-19)13-20(22)17-9-5-15(2)6-10-17/h3-10,18H,11-13H2,1-2H3
InChIKeyYKMNRDANAUVWDG-UHFFFAOYSA-N
XLogP4.53
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-[5-(4-methylphenyl)-3,4-dihydro-2H-pyrrol-2-yl]ethanone?
The IUPAC name of 1-(4-methylphenyl)-2-[5-(4-methylphenyl)-3,4-dihydro-2H-pyrrol-2-yl]ethanone (CID 15265007) is 1-(4-methylphenyl)-2-[5-(4-methylphenyl)-3,4-dihydro-2H-pyrrol-2-yl]ethanone.
What is the SMILES notation for 1-(4-methylphenyl)-2-[5-(4-methylphenyl)-3,4-dihydro-2H-pyrrol-2-yl]ethanone?
The canonical SMILES for 1-(4-methylphenyl)-2-[5-(4-methylphenyl)-3,4-dihydro-2H-pyrrol-2-yl]ethanone is Cc1ccc(C(=O)CC2CCC(c3ccc(C)cc3)=N2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-[5-(4-methylphenyl)-3,4-dihydro-2H-pyrrol-2-yl]ethanone?
The InChIKey is YKMNRDANAUVWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO/c1-14-3-7-16(8-4-14)19-12-11-18(21-19)13-20(22)17-9-5-15(2)6-10-17/h3-10,18H,11-13H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-2-[5-(4-methylphenyl)-3,4-dihydro-2H-pyrrol-2-yl]ethanone?
1-(4-methylphenyl)-2-[5-(4-methylphenyl)-3,4-dihydro-2H-pyrrol-2-yl]ethanone has a molecular weight of 291.39 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-[5-(4-methylphenyl)-3,4-dihydro-2H-pyrrol-2-yl]ethanone is sourced from PubChem (CID 15265007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).