methyl 6-[(E)-pent-1-enyl]-3,4-dihydro-2H-pyridine-1-carboxylate

C12H19NO2 — CID 16655309

IUPACmethyl 6-[(E)-pent-1-enyl]-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCCC/C=C/C1=CCCCN1C(=O)OC
InChIInChI=1S/C12H19NO2/c1-3-4-5-8-11-9-6-7-10-13(11)12(14)15-2/h5,8-9H,3-4,6-7,10H2,1-2H3/b8-5+
InChIKeyHDMUQWLDWAJRMG-VMPITWQZSA-N
MW209.29 g/mol
LogP3.09
Rot. Bonds3

About methyl 6-[(E)-pent-1-enyl]-3,4-dihydro-2H-pyridine-1-carboxylate

methyl 6-[(E)-pent-1-enyl]-3,4-dihydro-2H-pyridine-1-carboxylate (PubChem CID 16655309) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is methyl 6-[(E)-pent-1-enyl]-3,4-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(E)-pent-1-enyl]-3,4-dihydro-2H-pyridine-1-carboxylate
PubChem CID16655309
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Namemethyl 6-[(E)-pent-1-enyl]-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCCC/C=C/C1=CCCCN1C(=O)OC
InChIInChI=1S/C12H19NO2/c1-3-4-5-8-11-9-6-7-10-13(11)12(14)15-2/h5,8-9H,3-4,6-7,10H2,1-2H3/b8-5+
InChIKeyHDMUQWLDWAJRMG-VMPITWQZSA-N
XLogP3.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[(E)-pent-1-enyl]-3,4-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of methyl 6-[(E)-pent-1-enyl]-3,4-dihydro-2H-pyridine-1-carboxylate (CID 16655309) is methyl 6-[(E)-pent-1-enyl]-3,4-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for methyl 6-[(E)-pent-1-enyl]-3,4-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for methyl 6-[(E)-pent-1-enyl]-3,4-dihydro-2H-pyridine-1-carboxylate is CCC/C=C/C1=CCCCN1C(=O)OC.
What is the InChIKey of methyl 6-[(E)-pent-1-enyl]-3,4-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is HDMUQWLDWAJRMG-VMPITWQZSA-N. The full InChI is InChI=1S/C12H19NO2/c1-3-4-5-8-11-9-6-7-10-13(11)12(14)15-2/h5,8-9H,3-4,6-7,10H2,1-2H3/b8-5+.
What are the key properties of methyl 6-[(E)-pent-1-enyl]-3,4-dihydro-2H-pyridine-1-carboxylate?
methyl 6-[(E)-pent-1-enyl]-3,4-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 209.29 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(E)-pent-1-enyl]-3,4-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 16655309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).