2-phenyl-3-(propylamino)-1,2-dihydropyrrol-5-one

C13H16N2O — CID 139223934

IUPAC2-phenyl-3-(propylamino)-1,2-dihydropyrrol-5-one
SMILESCCCNC1=CC(=O)NC1c1ccccc1
InChIInChI=1S/C13H16N2O/c1-2-8-14-11-9-12(16)15-13(11)10-6-4-3-5-7-10/h3-7,9,13-14H,2,8H2,1H3,(H,15,16)
InChIKeyXICZLJYLYXPECH-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.74
Rot. Bonds4

About 2-phenyl-3-(propylamino)-1,2-dihydropyrrol-5-one

2-phenyl-3-(propylamino)-1,2-dihydropyrrol-5-one (PubChem CID 139223934) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-phenyl-3-(propylamino)-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name2-phenyl-3-(propylamino)-1,2-dihydropyrrol-5-one
PubChem CID139223934
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-phenyl-3-(propylamino)-1,2-dihydropyrrol-5-one
SMILESCCCNC1=CC(=O)NC1c1ccccc1
InChIInChI=1S/C13H16N2O/c1-2-8-14-11-9-12(16)15-13(11)10-6-4-3-5-7-10/h3-7,9,13-14H,2,8H2,1H3,(H,15,16)
InChIKeyXICZLJYLYXPECH-UHFFFAOYSA-N
XLogP1.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(propylamino)-1,2-dihydropyrrol-5-one?
The IUPAC name of 2-phenyl-3-(propylamino)-1,2-dihydropyrrol-5-one (CID 139223934) is 2-phenyl-3-(propylamino)-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 2-phenyl-3-(propylamino)-1,2-dihydropyrrol-5-one?
The canonical SMILES for 2-phenyl-3-(propylamino)-1,2-dihydropyrrol-5-one is CCCNC1=CC(=O)NC1c1ccccc1.
What is the InChIKey of 2-phenyl-3-(propylamino)-1,2-dihydropyrrol-5-one?
The InChIKey is XICZLJYLYXPECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-2-8-14-11-9-12(16)15-13(11)10-6-4-3-5-7-10/h3-7,9,13-14H,2,8H2,1H3,(H,15,16).
What are the key properties of 2-phenyl-3-(propylamino)-1,2-dihydropyrrol-5-one?
2-phenyl-3-(propylamino)-1,2-dihydropyrrol-5-one has a molecular weight of 216.28 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(propylamino)-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 139223934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).