methyl (2S,6R)-6-propa-1,2-dienylpiperidine-2-carboxylate

C10H15NO2 — CID 134831360

IUPACmethyl (2S,6R)-6-propa-1,2-dienylpiperidine-2-carboxylate
SMILESC=C=C[C@H]1CCC[C@@H](C(=O)OC)N1
InChIInChI=1S/C10H15NO2/c1-3-5-8-6-4-7-9(11-8)10(12)13-2/h5,8-9,11H,1,4,6-7H2,2H3/t8-,9-/m0/s1
InChIKeyINQHSCAVTBHMGN-IUCAKERBSA-N
MW181.23 g/mol
LogP1.01
Rot. Bonds2

About methyl (2S,6R)-6-propa-1,2-dienylpiperidine-2-carboxylate

methyl (2S,6R)-6-propa-1,2-dienylpiperidine-2-carboxylate (PubChem CID 134831360) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is methyl (2S,6R)-6-propa-1,2-dienylpiperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,6R)-6-propa-1,2-dienylpiperidine-2-carboxylate
PubChem CID134831360
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Namemethyl (2S,6R)-6-propa-1,2-dienylpiperidine-2-carboxylate
SMILESC=C=C[C@H]1CCC[C@@H](C(=O)OC)N1
InChIInChI=1S/C10H15NO2/c1-3-5-8-6-4-7-9(11-8)10(12)13-2/h5,8-9,11H,1,4,6-7H2,2H3/t8-,9-/m0/s1
InChIKeyINQHSCAVTBHMGN-IUCAKERBSA-N
XLogP1.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2S,6R)-6-propa-1,2-dienylpiperidine-2-carboxylate?
The IUPAC name of methyl (2S,6R)-6-propa-1,2-dienylpiperidine-2-carboxylate (CID 134831360) is methyl (2S,6R)-6-propa-1,2-dienylpiperidine-2-carboxylate.
What is the SMILES notation for methyl (2S,6R)-6-propa-1,2-dienylpiperidine-2-carboxylate?
The canonical SMILES for methyl (2S,6R)-6-propa-1,2-dienylpiperidine-2-carboxylate is C=C=C[C@H]1CCC[C@@H](C(=O)OC)N1.
What is the InChIKey of methyl (2S,6R)-6-propa-1,2-dienylpiperidine-2-carboxylate?
The InChIKey is INQHSCAVTBHMGN-IUCAKERBSA-N. The full InChI is InChI=1S/C10H15NO2/c1-3-5-8-6-4-7-9(11-8)10(12)13-2/h5,8-9,11H,1,4,6-7H2,2H3/t8-,9-/m0/s1.
What are the key properties of methyl (2S,6R)-6-propa-1,2-dienylpiperidine-2-carboxylate?
methyl (2S,6R)-6-propa-1,2-dienylpiperidine-2-carboxylate has a molecular weight of 181.23 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,6R)-6-propa-1,2-dienylpiperidine-2-carboxylate is sourced from PubChem (CID 134831360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).