1-formyl-4-methylidenepiperidine-2,6-dicarboxylic acid

C9H11NO5 — CID 15713247

IUPAC1-formyl-4-methylidenepiperidine-2,6-dicarboxylic acid
SMILESC=C1CC(C(=O)O)N(C=O)C(C(=O)O)C1
InChIInChI=1S/C9H11NO5/c1-5-2-6(8(12)13)10(4-11)7(3-5)9(14)15/h4,6-7H,1-3H2,(H,12,13)(H,14,15)
InChIKeyMYUWJRHRBHCJPY-UHFFFAOYSA-N
MW213.19 g/mol
LogP-0.30
Rot. Bonds3

About 1-formyl-4-methylidenepiperidine-2,6-dicarboxylic acid

1-formyl-4-methylidenepiperidine-2,6-dicarboxylic acid (PubChem CID 15713247) has the molecular formula C9H11NO5 and a molecular weight of 213.19 g/mol. Its IUPAC name is 1-formyl-4-methylidenepiperidine-2,6-dicarboxylic acid.

Molecular Properties

Compound Name1-formyl-4-methylidenepiperidine-2,6-dicarboxylic acid
PubChem CID15713247
Molecular FormulaC9H11NO5
Molecular Weight213.19 g/mol
Exact Mass213.06
IUPAC Name1-formyl-4-methylidenepiperidine-2,6-dicarboxylic acid
SMILESC=C1CC(C(=O)O)N(C=O)C(C(=O)O)C1
InChIInChI=1S/C9H11NO5/c1-5-2-6(8(12)13)10(4-11)7(3-5)9(14)15/h4,6-7H,1-3H2,(H,12,13)(H,14,15)
InChIKeyMYUWJRHRBHCJPY-UHFFFAOYSA-N
XLogP-0.30
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-formyl-4-methylidenepiperidine-2,6-dicarboxylic acid?
The IUPAC name of 1-formyl-4-methylidenepiperidine-2,6-dicarboxylic acid (CID 15713247) is 1-formyl-4-methylidenepiperidine-2,6-dicarboxylic acid.
What is the SMILES notation for 1-formyl-4-methylidenepiperidine-2,6-dicarboxylic acid?
The canonical SMILES for 1-formyl-4-methylidenepiperidine-2,6-dicarboxylic acid is C=C1CC(C(=O)O)N(C=O)C(C(=O)O)C1.
What is the InChIKey of 1-formyl-4-methylidenepiperidine-2,6-dicarboxylic acid?
The InChIKey is MYUWJRHRBHCJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO5/c1-5-2-6(8(12)13)10(4-11)7(3-5)9(14)15/h4,6-7H,1-3H2,(H,12,13)(H,14,15).
What are the key properties of 1-formyl-4-methylidenepiperidine-2,6-dicarboxylic acid?
1-formyl-4-methylidenepiperidine-2,6-dicarboxylic acid has a molecular weight of 213.19 g/mol, XLogP of -0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-formyl-4-methylidenepiperidine-2,6-dicarboxylic acid is sourced from PubChem (CID 15713247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).