2,3-dihydroxy-1,4-dipyrrolidin-1-ylbutane-1,4-dione

C12H20N2O4 — CID 2802595

IUPAC2,3-dihydroxy-1,4-dipyrrolidin-1-ylbutane-1,4-dione
SMILESO=C(C(O)C(O)C(=O)N1CCCC1)N1CCCC1
InChIInChI=1S/C12H20N2O4/c15-9(11(17)13-5-1-2-6-13)10(16)12(18)14-7-3-4-8-14/h9-10,15-16H,1-8H2
InChIKeyVWHUHPJIJJEZFI-UHFFFAOYSA-N
MW256.30 g/mol
LogP-1.05
Rot. Bonds3

About 2,3-dihydroxy-1,4-dipyrrolidin-1-ylbutane-1,4-dione

2,3-dihydroxy-1,4-dipyrrolidin-1-ylbutane-1,4-dione (PubChem CID 2802595) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2,3-dihydroxy-1,4-dipyrrolidin-1-ylbutane-1,4-dione.

Molecular Properties

Compound Name2,3-dihydroxy-1,4-dipyrrolidin-1-ylbutane-1,4-dione
PubChem CID2802595
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2,3-dihydroxy-1,4-dipyrrolidin-1-ylbutane-1,4-dione
SMILESO=C(C(O)C(O)C(=O)N1CCCC1)N1CCCC1
InChIInChI=1S/C12H20N2O4/c15-9(11(17)13-5-1-2-6-13)10(16)12(18)14-7-3-4-8-14/h9-10,15-16H,1-8H2
InChIKeyVWHUHPJIJJEZFI-UHFFFAOYSA-N
XLogP-1.05
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-1,4-dipyrrolidin-1-ylbutane-1,4-dione?
The IUPAC name of 2,3-dihydroxy-1,4-dipyrrolidin-1-ylbutane-1,4-dione (CID 2802595) is 2,3-dihydroxy-1,4-dipyrrolidin-1-ylbutane-1,4-dione.
What is the SMILES notation for 2,3-dihydroxy-1,4-dipyrrolidin-1-ylbutane-1,4-dione?
The canonical SMILES for 2,3-dihydroxy-1,4-dipyrrolidin-1-ylbutane-1,4-dione is O=C(C(O)C(O)C(=O)N1CCCC1)N1CCCC1.
What is the InChIKey of 2,3-dihydroxy-1,4-dipyrrolidin-1-ylbutane-1,4-dione?
The InChIKey is VWHUHPJIJJEZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c15-9(11(17)13-5-1-2-6-13)10(16)12(18)14-7-3-4-8-14/h9-10,15-16H,1-8H2.
What are the key properties of 2,3-dihydroxy-1,4-dipyrrolidin-1-ylbutane-1,4-dione?
2,3-dihydroxy-1,4-dipyrrolidin-1-ylbutane-1,4-dione has a molecular weight of 256.30 g/mol, XLogP of -1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-1,4-dipyrrolidin-1-ylbutane-1,4-dione is sourced from PubChem (CID 2802595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).