methyl 2-[(E)-pent-1-enyl]piperidine-1-carboxylate

C12H21NO2 — CID 162398569

IUPACmethyl 2-[(E)-pent-1-enyl]piperidine-1-carboxylate
SMILESCCC/C=C/C1CCCCN1C(=O)OC
InChIInChI=1S/C12H21NO2/c1-3-4-5-8-11-9-6-7-10-13(11)12(14)15-2/h5,8,11H,3-4,6-7,9-10H2,1-2H3/b8-5+
InChIKeyAEBSPIXRQSRVJX-VMPITWQZSA-N
MW211.30 g/mol
LogP2.96
Rot. Bonds3

About methyl 2-[(E)-pent-1-enyl]piperidine-1-carboxylate

methyl 2-[(E)-pent-1-enyl]piperidine-1-carboxylate (PubChem CID 162398569) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is methyl 2-[(E)-pent-1-enyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(E)-pent-1-enyl]piperidine-1-carboxylate
PubChem CID162398569
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Namemethyl 2-[(E)-pent-1-enyl]piperidine-1-carboxylate
SMILESCCC/C=C/C1CCCCN1C(=O)OC
InChIInChI=1S/C12H21NO2/c1-3-4-5-8-11-9-6-7-10-13(11)12(14)15-2/h5,8,11H,3-4,6-7,9-10H2,1-2H3/b8-5+
InChIKeyAEBSPIXRQSRVJX-VMPITWQZSA-N
XLogP2.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl N-cyclohex-2-en-1-yl-N-prop-2-ynylcarbamate
CID 139266068
N-Boc-2-(cis-1-Propenyl)Piperidine
CID 67498933
1(2h)-Pyridinecarboxylic acid,5,6-dihydro-2-(2-propenyl)-,methyl ester
CID 11229141
Methyl 2-allylpiperidine-1-carboxylate
CID 11412765
methyl 2-butyl-2H-pyridine-1-carboxylate
CID 12416609
Methyl 2,6-bis(prop-2-enyl)piperidine-1-carboxylate
CID 85420103
tert-butyl (2R)-2-[(E)-prop-1-enyl]piperidine-1-carboxylate
CID 124490920
tert-butyl N-cyclohex-2-en-1-yl-N-prop-2-enylcarbamate
CID 135043965
methyl 2-[(E)-2-methoxyethenyl]piperidine-1-carboxylate
CID 135086030
methyl 2-[(E)-pent-1-enyl]pyrrolidine-1-carboxylate
CID 162398002
tert-butyl 2-[(E)-2-cyclopropylethenyl]piperidine-1-carboxylate
CID 162398404
tert-butyl 2-[(E)-pent-1-enyl]piperidine-1-carboxylate
CID 162398405

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(E)-pent-1-enyl]piperidine-1-carboxylate?
The IUPAC name of methyl 2-[(E)-pent-1-enyl]piperidine-1-carboxylate (CID 162398569) is methyl 2-[(E)-pent-1-enyl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 2-[(E)-pent-1-enyl]piperidine-1-carboxylate?
The canonical SMILES for methyl 2-[(E)-pent-1-enyl]piperidine-1-carboxylate is CCC/C=C/C1CCCCN1C(=O)OC.
What is the InChIKey of methyl 2-[(E)-pent-1-enyl]piperidine-1-carboxylate?
The InChIKey is AEBSPIXRQSRVJX-VMPITWQZSA-N. The full InChI is InChI=1S/C12H21NO2/c1-3-4-5-8-11-9-6-7-10-13(11)12(14)15-2/h5,8,11H,3-4,6-7,9-10H2,1-2H3/b8-5+.
What are the key properties of methyl 2-[(E)-pent-1-enyl]piperidine-1-carboxylate?
methyl 2-[(E)-pent-1-enyl]piperidine-1-carboxylate has a molecular weight of 211.30 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(E)-pent-1-enyl]piperidine-1-carboxylate is sourced from PubChem (CID 162398569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).