4-[(E)-2-(2,3-dihydrofuran-2-yl)ethenyl]-1-methyl-3,6-dihydro-2H-pyridine

C12H17NO — CID 88982036

IUPAC4-[(E)-2-(2,3-dihydrofuran-2-yl)ethenyl]-1-methyl-3,6-dihydro-2H-pyridine
SMILESCN1CC=C(/C=C/C2CC=CO2)CC1
InChIInChI=1S/C12H17NO/c1-13-8-6-11(7-9-13)4-5-12-3-2-10-14-12/h2,4-6,10,12H,3,7-9H2,1H3/b5-4+
InChIKeyBWRGHDKRDQVLRX-SNAWJCMRSA-N
MW191.27 g/mol
LogP2.11
Rot. Bonds2

About 4-[(E)-2-(2,3-dihydrofuran-2-yl)ethenyl]-1-methyl-3,6-dihydro-2H-pyridine

4-[(E)-2-(2,3-dihydrofuran-2-yl)ethenyl]-1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 88982036) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 4-[(E)-2-(2,3-dihydrofuran-2-yl)ethenyl]-1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-[(E)-2-(2,3-dihydrofuran-2-yl)ethenyl]-1-methyl-3,6-dihydro-2H-pyridine
PubChem CID88982036
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name4-[(E)-2-(2,3-dihydrofuran-2-yl)ethenyl]-1-methyl-3,6-dihydro-2H-pyridine
SMILESCN1CC=C(/C=C/C2CC=CO2)CC1
InChIInChI=1S/C12H17NO/c1-13-8-6-11(7-9-13)4-5-12-3-2-10-14-12/h2,4-6,10,12H,3,7-9H2,1H3/b5-4+
InChIKeyBWRGHDKRDQVLRX-SNAWJCMRSA-N
XLogP2.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(2,3-dihydrofuran-2-yl)ethenyl]-1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-[(E)-2-(2,3-dihydrofuran-2-yl)ethenyl]-1-methyl-3,6-dihydro-2H-pyridine (CID 88982036) is 4-[(E)-2-(2,3-dihydrofuran-2-yl)ethenyl]-1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-[(E)-2-(2,3-dihydrofuran-2-yl)ethenyl]-1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-[(E)-2-(2,3-dihydrofuran-2-yl)ethenyl]-1-methyl-3,6-dihydro-2H-pyridine is CN1CC=C(/C=C/C2CC=CO2)CC1.
What is the InChIKey of 4-[(E)-2-(2,3-dihydrofuran-2-yl)ethenyl]-1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is BWRGHDKRDQVLRX-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H17NO/c1-13-8-6-11(7-9-13)4-5-12-3-2-10-14-12/h2,4-6,10,12H,3,7-9H2,1H3/b5-4+.
What are the key properties of 4-[(E)-2-(2,3-dihydrofuran-2-yl)ethenyl]-1-methyl-3,6-dihydro-2H-pyridine?
4-[(E)-2-(2,3-dihydrofuran-2-yl)ethenyl]-1-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 191.27 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(2,3-dihydrofuran-2-yl)ethenyl]-1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 88982036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).