1,3-bis[2-(2-oxopyrrolidin-1-yl)propyl]urea

C15H26N4O3 — CID 23348575

IUPAC1,3-bis[2-(2-oxopyrrolidin-1-yl)propyl]urea
SMILESCC(CNC(=O)NCC(C)N1CCCC1=O)N1CCCC1=O
InChIInChI=1S/C15H26N4O3/c1-11(18-7-3-5-13(18)20)9-16-15(22)17-10-12(2)19-8-4-6-14(19)21/h11-12H,3-10H2,1-2H3,(H2,16,17,22)
InChIKeyOHFOUMYXQHGLLF-UHFFFAOYSA-N
MW310.40 g/mol
LogP0.31
Rot. Bonds6

About 1,3-bis[2-(2-oxopyrrolidin-1-yl)propyl]urea

1,3-bis[2-(2-oxopyrrolidin-1-yl)propyl]urea (PubChem CID 23348575) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1,3-bis[2-(2-oxopyrrolidin-1-yl)propyl]urea.

Molecular Properties

Compound Name1,3-bis[2-(2-oxopyrrolidin-1-yl)propyl]urea
PubChem CID23348575
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC Name1,3-bis[2-(2-oxopyrrolidin-1-yl)propyl]urea
SMILESCC(CNC(=O)NCC(C)N1CCCC1=O)N1CCCC1=O
InChIInChI=1S/C15H26N4O3/c1-11(18-7-3-5-13(18)20)9-16-15(22)17-10-12(2)19-8-4-6-14(19)21/h11-12H,3-10H2,1-2H3,(H2,16,17,22)
InChIKeyOHFOUMYXQHGLLF-UHFFFAOYSA-N
XLogP0.31
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[2-(2-oxopyrrolidin-1-yl)propyl]urea?
The IUPAC name of 1,3-bis[2-(2-oxopyrrolidin-1-yl)propyl]urea (CID 23348575) is 1,3-bis[2-(2-oxopyrrolidin-1-yl)propyl]urea.
What is the SMILES notation for 1,3-bis[2-(2-oxopyrrolidin-1-yl)propyl]urea?
The canonical SMILES for 1,3-bis[2-(2-oxopyrrolidin-1-yl)propyl]urea is CC(CNC(=O)NCC(C)N1CCCC1=O)N1CCCC1=O.
What is the InChIKey of 1,3-bis[2-(2-oxopyrrolidin-1-yl)propyl]urea?
The InChIKey is OHFOUMYXQHGLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-11(18-7-3-5-13(18)20)9-16-15(22)17-10-12(2)19-8-4-6-14(19)21/h11-12H,3-10H2,1-2H3,(H2,16,17,22).
What are the key properties of 1,3-bis[2-(2-oxopyrrolidin-1-yl)propyl]urea?
1,3-bis[2-(2-oxopyrrolidin-1-yl)propyl]urea has a molecular weight of 310.40 g/mol, XLogP of 0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[2-(2-oxopyrrolidin-1-yl)propyl]urea is sourced from PubChem (CID 23348575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).