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

C10H17NO2 — CID 14084165

IUPACmethyl 2-[(E)-prop-1-enyl]piperidine-1-carboxylate
SMILESC/C=C/C1CCCCN1C(=O)OC
InChIInChI=1S/C10H17NO2/c1-3-6-9-7-4-5-8-11(9)10(12)13-2/h3,6,9H,4-5,7-8H2,1-2H3/b6-3+
InChIKeyXYMHZDFQABYFDD-ZZXKWVIFSA-N
MW183.25 g/mol
LogP2.18
Rot. Bonds1

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

methyl 2-[(E)-prop-1-enyl]piperidine-1-carboxylate (PubChem CID 14084165) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is methyl 2-[(E)-prop-1-enyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(E)-prop-1-enyl]piperidine-1-carboxylate
PubChem CID14084165
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namemethyl 2-[(E)-prop-1-enyl]piperidine-1-carboxylate
SMILESC/C=C/C1CCCCN1C(=O)OC
InChIInChI=1S/C10H17NO2/c1-3-6-9-7-4-5-8-11(9)10(12)13-2/h3,6,9H,4-5,7-8H2,1-2H3/b6-3+
InChIKeyXYMHZDFQABYFDD-ZZXKWVIFSA-N
XLogP2.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.18
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)-prop-1-enyl]piperidine-1-carboxylate?
The IUPAC name of methyl 2-[(E)-prop-1-enyl]piperidine-1-carboxylate (CID 14084165) is methyl 2-[(E)-prop-1-enyl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 2-[(E)-prop-1-enyl]piperidine-1-carboxylate?
The canonical SMILES for methyl 2-[(E)-prop-1-enyl]piperidine-1-carboxylate is C/C=C/C1CCCCN1C(=O)OC.
What is the InChIKey of methyl 2-[(E)-prop-1-enyl]piperidine-1-carboxylate?
The InChIKey is XYMHZDFQABYFDD-ZZXKWVIFSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-6-9-7-4-5-8-11(9)10(12)13-2/h3,6,9H,4-5,7-8H2,1-2H3/b6-3+.
What are the key properties of methyl 2-[(E)-prop-1-enyl]piperidine-1-carboxylate?
methyl 2-[(E)-prop-1-enyl]piperidine-1-carboxylate has a molecular weight of 183.25 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(E)-prop-1-enyl]piperidine-1-carboxylate is sourced from PubChem (CID 14084165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).