4-methylidene-1-prop-2-enoxycarbonylpiperidine-2-carboxylic acid

C11H15NO4 — CID 167731596

IUPAC4-methylidene-1-prop-2-enoxycarbonylpiperidine-2-carboxylic acid
SMILESC=CCOC(=O)N1CCC(=C)CC1C(=O)O
InChIInChI=1S/C11H15NO4/c1-3-6-16-11(15)12-5-4-8(2)7-9(12)10(13)14/h3,9H,1-2,4-7H2,(H,13,14)
InChIKeyANBOEBQAGBNCNV-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.41
Rot. Bonds3

About 4-methylidene-1-prop-2-enoxycarbonylpiperidine-2-carboxylic acid

4-methylidene-1-prop-2-enoxycarbonylpiperidine-2-carboxylic acid (PubChem CID 167731596) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 4-methylidene-1-prop-2-enoxycarbonylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methylidene-1-prop-2-enoxycarbonylpiperidine-2-carboxylic acid
PubChem CID167731596
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name4-methylidene-1-prop-2-enoxycarbonylpiperidine-2-carboxylic acid
SMILESC=CCOC(=O)N1CCC(=C)CC1C(=O)O
InChIInChI=1S/C11H15NO4/c1-3-6-16-11(15)12-5-4-8(2)7-9(12)10(13)14/h3,9H,1-2,4-7H2,(H,13,14)
InChIKeyANBOEBQAGBNCNV-UHFFFAOYSA-N
XLogP1.41
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methylidene-1-prop-2-enoxycarbonylpiperidine-2-carboxylic acid?
The IUPAC name of 4-methylidene-1-prop-2-enoxycarbonylpiperidine-2-carboxylic acid (CID 167731596) is 4-methylidene-1-prop-2-enoxycarbonylpiperidine-2-carboxylic acid.
What is the SMILES notation for 4-methylidene-1-prop-2-enoxycarbonylpiperidine-2-carboxylic acid?
The canonical SMILES for 4-methylidene-1-prop-2-enoxycarbonylpiperidine-2-carboxylic acid is C=CCOC(=O)N1CCC(=C)CC1C(=O)O.
What is the InChIKey of 4-methylidene-1-prop-2-enoxycarbonylpiperidine-2-carboxylic acid?
The InChIKey is ANBOEBQAGBNCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-3-6-16-11(15)12-5-4-8(2)7-9(12)10(13)14/h3,9H,1-2,4-7H2,(H,13,14).
What are the key properties of 4-methylidene-1-prop-2-enoxycarbonylpiperidine-2-carboxylic acid?
4-methylidene-1-prop-2-enoxycarbonylpiperidine-2-carboxylic acid has a molecular weight of 225.24 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-1-prop-2-enoxycarbonylpiperidine-2-carboxylic acid is sourced from PubChem (CID 167731596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).