2,3-dihydroxy-5-methylpiperazine-1,4-dicarbaldehyde

C7H12N2O4 — CID 45115742

IUPAC2,3-dihydroxy-5-methylpiperazine-1,4-dicarbaldehyde
SMILESCC1CN(C=O)C(O)C(O)N1C=O
InChIInChI=1S/C7H12N2O4/c1-5-2-8(3-10)6(12)7(13)9(5)4-11/h3-7,12-13H,2H2,1H3
InChIKeySAYDIOJUYWQANF-UHFFFAOYSA-N
MW188.18 g/mol
LogP-2.06
Rot. Bonds2

About 2,3-dihydroxy-5-methylpiperazine-1,4-dicarbaldehyde

2,3-dihydroxy-5-methylpiperazine-1,4-dicarbaldehyde (PubChem CID 45115742) has the molecular formula C7H12N2O4 and a molecular weight of 188.18 g/mol. Its IUPAC name is 2,3-dihydroxy-5-methylpiperazine-1,4-dicarbaldehyde.

Molecular Properties

Compound Name2,3-dihydroxy-5-methylpiperazine-1,4-dicarbaldehyde
PubChem CID45115742
Molecular FormulaC7H12N2O4
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name2,3-dihydroxy-5-methylpiperazine-1,4-dicarbaldehyde
SMILESCC1CN(C=O)C(O)C(O)N1C=O
InChIInChI=1S/C7H12N2O4/c1-5-2-8(3-10)6(12)7(13)9(5)4-11/h3-7,12-13H,2H2,1H3
InChIKeySAYDIOJUYWQANF-UHFFFAOYSA-N
XLogP-2.06
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 5-2.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-5-methylpiperazine-1,4-dicarbaldehyde?
The IUPAC name of 2,3-dihydroxy-5-methylpiperazine-1,4-dicarbaldehyde (CID 45115742) is 2,3-dihydroxy-5-methylpiperazine-1,4-dicarbaldehyde.
What is the SMILES notation for 2,3-dihydroxy-5-methylpiperazine-1,4-dicarbaldehyde?
The canonical SMILES for 2,3-dihydroxy-5-methylpiperazine-1,4-dicarbaldehyde is CC1CN(C=O)C(O)C(O)N1C=O.
What is the InChIKey of 2,3-dihydroxy-5-methylpiperazine-1,4-dicarbaldehyde?
The InChIKey is SAYDIOJUYWQANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O4/c1-5-2-8(3-10)6(12)7(13)9(5)4-11/h3-7,12-13H,2H2,1H3.
What are the key properties of 2,3-dihydroxy-5-methylpiperazine-1,4-dicarbaldehyde?
2,3-dihydroxy-5-methylpiperazine-1,4-dicarbaldehyde has a molecular weight of 188.18 g/mol, XLogP of -2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-5-methylpiperazine-1,4-dicarbaldehyde is sourced from PubChem (CID 45115742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).