1-phenyl-2-(5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)ethanone

C18H17NO — CID 10967351

IUPAC1-phenyl-2-(5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)ethanone
SMILESO=C(CC1CCC(c2ccccc2)=N1)c1ccccc1
InChIInChI=1S/C18H17NO/c20-18(15-9-5-2-6-10-15)13-16-11-12-17(19-16)14-7-3-1-4-8-14/h1-10,16H,11-13H2
InChIKeyBCROSENNVVEBCY-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.91
Rot. Bonds4

About 1-phenyl-2-(5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)ethanone

1-phenyl-2-(5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)ethanone (PubChem CID 10967351) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-phenyl-2-(5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)ethanone.

Molecular Properties

Compound Name1-phenyl-2-(5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)ethanone
PubChem CID10967351
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name1-phenyl-2-(5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)ethanone
SMILESO=C(CC1CCC(c2ccccc2)=N1)c1ccccc1
InChIInChI=1S/C18H17NO/c20-18(15-9-5-2-6-10-15)13-16-11-12-17(19-16)14-7-3-1-4-8-14/h1-10,16H,11-13H2
InChIKeyBCROSENNVVEBCY-UHFFFAOYSA-N
XLogP3.91
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-cyclopentyl-1-(4-phenylphenyl)ethanone
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2-[(1R,6S)-7-bicyclo[4.1.0]heptanyl]-1-phenylethanone
CID 10921866
2-[(6R)-6-phenacylpiperidin-2-yl]-1-phenylethanone
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2-(2-bromocyclopropyl)-1-phenylethanone
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5-phenacyl-6-phenyl-4,5-dihydro-2H-1,2,4-triazin-3-one
CID 56692518
(4S)-4-phenacyl-3-phenylcyclopent-2-en-1-one
CID 102019954
cis-(2S,3R)-2-benzoyl-3-phenacylcyclopentan-1-one
CID 131848782
1-phenyl-2-pyrrolidin-2-ylethanone
CID 14176779
2-(oxolan-3-yl)-1-phenylethanone
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CID 135029704

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)ethanone?
The IUPAC name of 1-phenyl-2-(5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)ethanone (CID 10967351) is 1-phenyl-2-(5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)ethanone.
What is the SMILES notation for 1-phenyl-2-(5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)ethanone?
The canonical SMILES for 1-phenyl-2-(5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)ethanone is O=C(CC1CCC(c2ccccc2)=N1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)ethanone?
The InChIKey is BCROSENNVVEBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c20-18(15-9-5-2-6-10-15)13-16-11-12-17(19-16)14-7-3-1-4-8-14/h1-10,16H,11-13H2.
What are the key properties of 1-phenyl-2-(5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)ethanone?
1-phenyl-2-(5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)ethanone has a molecular weight of 263.34 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)ethanone is sourced from PubChem (CID 10967351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).