4-hept-6-enylmorpholine-2-carboxylic acid

C12H21NO3 — CID 107007820

IUPAC4-hept-6-enylmorpholine-2-carboxylic acid
SMILESC=CCCCCCN1CCOC(C(=O)O)C1
InChIInChI=1S/C12H21NO3/c1-2-3-4-5-6-7-13-8-9-16-11(10-13)12(14)15/h2,11H,1,3-10H2,(H,14,15)
InChIKeyOFUQHVXSUCLSRM-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.52
Rot. Bonds7

About 4-hept-6-enylmorpholine-2-carboxylic acid

4-hept-6-enylmorpholine-2-carboxylic acid (PubChem CID 107007820) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 4-hept-6-enylmorpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-hept-6-enylmorpholine-2-carboxylic acid
PubChem CID107007820
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name4-hept-6-enylmorpholine-2-carboxylic acid
SMILESC=CCCCCCN1CCOC(C(=O)O)C1
InChIInChI=1S/C12H21NO3/c1-2-3-4-5-6-7-13-8-9-16-11(10-13)12(14)15/h2,11H,1,3-10H2,(H,14,15)
InChIKeyOFUQHVXSUCLSRM-UHFFFAOYSA-N
XLogP1.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hept-6-enylmorpholine-2-carboxylic acid?
The IUPAC name of 4-hept-6-enylmorpholine-2-carboxylic acid (CID 107007820) is 4-hept-6-enylmorpholine-2-carboxylic acid.
What is the SMILES notation for 4-hept-6-enylmorpholine-2-carboxylic acid?
The canonical SMILES for 4-hept-6-enylmorpholine-2-carboxylic acid is C=CCCCCCN1CCOC(C(=O)O)C1.
What is the InChIKey of 4-hept-6-enylmorpholine-2-carboxylic acid?
The InChIKey is OFUQHVXSUCLSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-2-3-4-5-6-7-13-8-9-16-11(10-13)12(14)15/h2,11H,1,3-10H2,(H,14,15).
What are the key properties of 4-hept-6-enylmorpholine-2-carboxylic acid?
4-hept-6-enylmorpholine-2-carboxylic acid has a molecular weight of 227.30 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hept-6-enylmorpholine-2-carboxylic acid is sourced from PubChem (CID 107007820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).