ethane;prop-2-enyl piperidine-1-carboxylate

C11H21NO2 — CID 123947204

IUPACethane;prop-2-enyl piperidine-1-carboxylate
SMILESC=CCOC(=O)N1CCCCC1.CC
InChIInChI=1S/C9H15NO2.C2H6/c1-2-8-12-9(11)10-6-4-3-5-7-10;1-2/h2H,1,3-8H2;1-2H3
InChIKeyHNVDRKWJVPGPRV-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.82
Rot. Bonds2

About ethane;prop-2-enyl piperidine-1-carboxylate

ethane;prop-2-enyl piperidine-1-carboxylate (PubChem CID 123947204) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is ethane;prop-2-enyl piperidine-1-carboxylate.

Molecular Properties

Compound Nameethane;prop-2-enyl piperidine-1-carboxylate
PubChem CID123947204
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nameethane;prop-2-enyl piperidine-1-carboxylate
SMILESC=CCOC(=O)N1CCCCC1.CC
InChIInChI=1S/C9H15NO2.C2H6/c1-2-8-12-9(11)10-6-4-3-5-7-10;1-2/h2H,1,3-8H2;1-2H3
InChIKeyHNVDRKWJVPGPRV-UHFFFAOYSA-N
XLogP2.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 ethane;prop-2-enyl piperidine-1-carboxylate?
The IUPAC name of ethane;prop-2-enyl piperidine-1-carboxylate (CID 123947204) is ethane;prop-2-enyl piperidine-1-carboxylate.
What is the SMILES notation for ethane;prop-2-enyl piperidine-1-carboxylate?
The canonical SMILES for ethane;prop-2-enyl piperidine-1-carboxylate is C=CCOC(=O)N1CCCCC1.CC.
What is the InChIKey of ethane;prop-2-enyl piperidine-1-carboxylate?
The InChIKey is HNVDRKWJVPGPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2.C2H6/c1-2-8-12-9(11)10-6-4-3-5-7-10;1-2/h2H,1,3-8H2;1-2H3.
What are the key properties of ethane;prop-2-enyl piperidine-1-carboxylate?
ethane;prop-2-enyl piperidine-1-carboxylate has a molecular weight of 199.29 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;prop-2-enyl piperidine-1-carboxylate is sourced from PubChem (CID 123947204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).