ethyl 3-prop-2-enoxypiperidine-1-carboxylate

C11H19NO3 — CID 91268093

IUPACethyl 3-prop-2-enoxypiperidine-1-carboxylate
SMILESC=CCOC1CCCN(C(=O)OCC)C1
InChIInChI=1S/C11H19NO3/c1-3-8-15-10-6-5-7-12(9-10)11(13)14-4-2/h3,10H,1,4-9H2,2H3
InChIKeyACJYDQBNTQNIHE-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.81
Rot. Bonds4

About ethyl 3-prop-2-enoxypiperidine-1-carboxylate

ethyl 3-prop-2-enoxypiperidine-1-carboxylate (PubChem CID 91268093) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is ethyl 3-prop-2-enoxypiperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-prop-2-enoxypiperidine-1-carboxylate
PubChem CID91268093
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nameethyl 3-prop-2-enoxypiperidine-1-carboxylate
SMILESC=CCOC1CCCN(C(=O)OCC)C1
InChIInChI=1S/C11H19NO3/c1-3-8-15-10-6-5-7-12(9-10)11(13)14-4-2/h3,10H,1,4-9H2,2H3
InChIKeyACJYDQBNTQNIHE-UHFFFAOYSA-N
XLogP1.81
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl N-[(3S,4S,6S)-6-fluoro-4-methoxyoxan-3-yl]-N-propan-2-ylcarbamate
CID 53483369
1-[3-[(Z)-but-2-enoxy]piperidin-1-yl]ethanone
CID 46153757
Tert-butyl 4-(allyloxy)piperidine-1-carboxylate
CID 21990010
Tert-butyl 4-(allyloxymethyl)piperidine-1-carboxylate
CID 57372945
Ethyl (3S,4R)-4-amino-3-(prop-2-en-1-yloxy)piperidine-1-carboxylate
CID 58075108
Tert-butyl 3-(prop-2-en-1-yloxy)piperidine-1-carboxylate
CID 58091442
(3S)-3-prop-2-enoxypiperidine-1-carboxylic acid
CID 66896317
4,4-Dimethoxy-3-prop-2-enoxypiperidine-1-carboxylic acid
CID 67548493
tert-Butyl 3-allyloxy-4-oxopiperidine-1-carboxylate
CID 67548846
tert-Butyl 3-allyloxy-4,4-dimethoxypiperidine-1-carboxylate
CID 68405955
3-Prop-2-enoxypiperidine-1-carboxylic acid
CID 77164706
Butyl 4-prop-2-enoxypiperidine-1-carboxylate
CID 90978446

Frequently Asked Questions

What is the IUPAC name of ethyl 3-prop-2-enoxypiperidine-1-carboxylate?
The IUPAC name of ethyl 3-prop-2-enoxypiperidine-1-carboxylate (CID 91268093) is ethyl 3-prop-2-enoxypiperidine-1-carboxylate.
What is the SMILES notation for ethyl 3-prop-2-enoxypiperidine-1-carboxylate?
The canonical SMILES for ethyl 3-prop-2-enoxypiperidine-1-carboxylate is C=CCOC1CCCN(C(=O)OCC)C1.
What is the InChIKey of ethyl 3-prop-2-enoxypiperidine-1-carboxylate?
The InChIKey is ACJYDQBNTQNIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-3-8-15-10-6-5-7-12(9-10)11(13)14-4-2/h3,10H,1,4-9H2,2H3.
What are the key properties of ethyl 3-prop-2-enoxypiperidine-1-carboxylate?
ethyl 3-prop-2-enoxypiperidine-1-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-prop-2-enoxypiperidine-1-carboxylate is sourced from PubChem (CID 91268093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).