2-phenyl-1,4-dipyrrolidin-1-ylbutane-1,4-dione

C18H24N2O2 — CID 102277835

IUPAC2-phenyl-1,4-dipyrrolidin-1-ylbutane-1,4-dione
SMILESO=C(CC(C(=O)N1CCCC1)c1ccccc1)N1CCCC1
InChIInChI=1S/C18H24N2O2/c21-17(19-10-4-5-11-19)14-16(15-8-2-1-3-9-15)18(22)20-12-6-7-13-20/h1-3,8-9,16H,4-7,10-14H2
InChIKeyQLYIYHDOJLIBQL-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.41
Rot. Bonds4

About 2-phenyl-1,4-dipyrrolidin-1-ylbutane-1,4-dione

2-phenyl-1,4-dipyrrolidin-1-ylbutane-1,4-dione (PubChem CID 102277835) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-phenyl-1,4-dipyrrolidin-1-ylbutane-1,4-dione.

Molecular Properties

Compound Name2-phenyl-1,4-dipyrrolidin-1-ylbutane-1,4-dione
PubChem CID102277835
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name2-phenyl-1,4-dipyrrolidin-1-ylbutane-1,4-dione
SMILESO=C(CC(C(=O)N1CCCC1)c1ccccc1)N1CCCC1
InChIInChI=1S/C18H24N2O2/c21-17(19-10-4-5-11-19)14-16(15-8-2-1-3-9-15)18(22)20-12-6-7-13-20/h1-3,8-9,16H,4-7,10-14H2
InChIKeyQLYIYHDOJLIBQL-UHFFFAOYSA-N
XLogP2.41
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1,4-dipyrrolidin-1-ylbutane-1,4-dione?
The IUPAC name of 2-phenyl-1,4-dipyrrolidin-1-ylbutane-1,4-dione (CID 102277835) is 2-phenyl-1,4-dipyrrolidin-1-ylbutane-1,4-dione.
What is the SMILES notation for 2-phenyl-1,4-dipyrrolidin-1-ylbutane-1,4-dione?
The canonical SMILES for 2-phenyl-1,4-dipyrrolidin-1-ylbutane-1,4-dione is O=C(CC(C(=O)N1CCCC1)c1ccccc1)N1CCCC1.
What is the InChIKey of 2-phenyl-1,4-dipyrrolidin-1-ylbutane-1,4-dione?
The InChIKey is QLYIYHDOJLIBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c21-17(19-10-4-5-11-19)14-16(15-8-2-1-3-9-15)18(22)20-12-6-7-13-20/h1-3,8-9,16H,4-7,10-14H2.
What are the key properties of 2-phenyl-1,4-dipyrrolidin-1-ylbutane-1,4-dione?
2-phenyl-1,4-dipyrrolidin-1-ylbutane-1,4-dione has a molecular weight of 300.40 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1,4-dipyrrolidin-1-ylbutane-1,4-dione is sourced from PubChem (CID 102277835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).