prop-2-enyl 1,3-dimethyl-2-oxopiperidine-3-carboxylate

C11H17NO3 — CID 155131391

IUPACprop-2-enyl 1,3-dimethyl-2-oxopiperidine-3-carboxylate
SMILESC=CCOC(=O)C1(C)CCCN(C)C1=O
InChIInChI=1S/C11H17NO3/c1-4-8-15-10(14)11(2)6-5-7-12(3)9(11)13/h4H,1,5-8H2,2-3H3
InChIKeyDSALPDWUBUZEMI-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.97
Rot. Bonds3

About prop-2-enyl 1,3-dimethyl-2-oxopiperidine-3-carboxylate

prop-2-enyl 1,3-dimethyl-2-oxopiperidine-3-carboxylate (PubChem CID 155131391) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is prop-2-enyl 1,3-dimethyl-2-oxopiperidine-3-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 1,3-dimethyl-2-oxopiperidine-3-carboxylate
PubChem CID155131391
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Nameprop-2-enyl 1,3-dimethyl-2-oxopiperidine-3-carboxylate
SMILESC=CCOC(=O)C1(C)CCCN(C)C1=O
InChIInChI=1S/C11H17NO3/c1-4-8-15-10(14)11(2)6-5-7-12(3)9(11)13/h4H,1,5-8H2,2-3H3
InChIKeyDSALPDWUBUZEMI-UHFFFAOYSA-N
XLogP0.97
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 1,3-dimethyl-2-oxopiperidine-3-carboxylate?
The IUPAC name of prop-2-enyl 1,3-dimethyl-2-oxopiperidine-3-carboxylate (CID 155131391) is prop-2-enyl 1,3-dimethyl-2-oxopiperidine-3-carboxylate.
What is the SMILES notation for prop-2-enyl 1,3-dimethyl-2-oxopiperidine-3-carboxylate?
The canonical SMILES for prop-2-enyl 1,3-dimethyl-2-oxopiperidine-3-carboxylate is C=CCOC(=O)C1(C)CCCN(C)C1=O.
What is the InChIKey of prop-2-enyl 1,3-dimethyl-2-oxopiperidine-3-carboxylate?
The InChIKey is DSALPDWUBUZEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-4-8-15-10(14)11(2)6-5-7-12(3)9(11)13/h4H,1,5-8H2,2-3H3.
What are the key properties of prop-2-enyl 1,3-dimethyl-2-oxopiperidine-3-carboxylate?
prop-2-enyl 1,3-dimethyl-2-oxopiperidine-3-carboxylate has a molecular weight of 211.26 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 1,3-dimethyl-2-oxopiperidine-3-carboxylate is sourced from PubChem (CID 155131391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).