prop-2-enyl N-piperidin-3-ylcarbamate

C9H16N2O2 — CID 53249823

IUPACprop-2-enyl N-piperidin-3-ylcarbamate
SMILESC=CCOC(=O)NC1CCCNC1
InChIInChI=1S/C9H16N2O2/c1-2-6-13-9(12)11-8-4-3-5-10-7-8/h2,8,10H,1,3-7H2,(H,11,12)
InChIKeyMRFWWCSKVVTGTD-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.65
Rot. Bonds3

About prop-2-enyl N-piperidin-3-ylcarbamate

prop-2-enyl N-piperidin-3-ylcarbamate (PubChem CID 53249823) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is prop-2-enyl N-piperidin-3-ylcarbamate.

Molecular Properties

Compound Nameprop-2-enyl N-piperidin-3-ylcarbamate
PubChem CID53249823
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Nameprop-2-enyl N-piperidin-3-ylcarbamate
SMILESC=CCOC(=O)NC1CCCNC1
InChIInChI=1S/C9H16N2O2/c1-2-6-13-9(12)11-8-4-3-5-10-7-8/h2,8,10H,1,3-7H2,(H,11,12)
InChIKeyMRFWWCSKVVTGTD-UHFFFAOYSA-N
XLogP0.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.65
H-Bond Donors ≤ 52
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 prop-2-enyl N-piperidin-3-ylcarbamate?
The IUPAC name of prop-2-enyl N-piperidin-3-ylcarbamate (CID 53249823) is prop-2-enyl N-piperidin-3-ylcarbamate.
What is the SMILES notation for prop-2-enyl N-piperidin-3-ylcarbamate?
The canonical SMILES for prop-2-enyl N-piperidin-3-ylcarbamate is C=CCOC(=O)NC1CCCNC1.
What is the InChIKey of prop-2-enyl N-piperidin-3-ylcarbamate?
The InChIKey is MRFWWCSKVVTGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-2-6-13-9(12)11-8-4-3-5-10-7-8/h2,8,10H,1,3-7H2,(H,11,12).
What are the key properties of prop-2-enyl N-piperidin-3-ylcarbamate?
prop-2-enyl N-piperidin-3-ylcarbamate has a molecular weight of 184.24 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-piperidin-3-ylcarbamate is sourced from PubChem (CID 53249823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).