4-(furan-2-yl)-1,2,6-trimethyl-3,6-dihydro-2H-pyridine

C12H17NO — CID 13029627

IUPAC4-(furan-2-yl)-1,2,6-trimethyl-3,6-dihydro-2H-pyridine
SMILESCC1C=C(c2ccco2)CC(C)N1C
InChIInChI=1S/C12H17NO/c1-9-7-11(8-10(2)13(9)3)12-5-4-6-14-12/h4-7,9-10H,8H2,1-3H3
InChIKeyWXKCQEFDGHJNGL-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.78
Rot. Bonds1

About 4-(furan-2-yl)-1,2,6-trimethyl-3,6-dihydro-2H-pyridine

4-(furan-2-yl)-1,2,6-trimethyl-3,6-dihydro-2H-pyridine (PubChem CID 13029627) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 4-(furan-2-yl)-1,2,6-trimethyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-(furan-2-yl)-1,2,6-trimethyl-3,6-dihydro-2H-pyridine
PubChem CID13029627
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name4-(furan-2-yl)-1,2,6-trimethyl-3,6-dihydro-2H-pyridine
SMILESCC1C=C(c2ccco2)CC(C)N1C
InChIInChI=1S/C12H17NO/c1-9-7-11(8-10(2)13(9)3)12-5-4-6-14-12/h4-7,9-10H,8H2,1-3H3
InChIKeyWXKCQEFDGHJNGL-UHFFFAOYSA-N
XLogP2.78
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-1,2,6-trimethyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-(furan-2-yl)-1,2,6-trimethyl-3,6-dihydro-2H-pyridine (CID 13029627) is 4-(furan-2-yl)-1,2,6-trimethyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-(furan-2-yl)-1,2,6-trimethyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-(furan-2-yl)-1,2,6-trimethyl-3,6-dihydro-2H-pyridine is CC1C=C(c2ccco2)CC(C)N1C.
What is the InChIKey of 4-(furan-2-yl)-1,2,6-trimethyl-3,6-dihydro-2H-pyridine?
The InChIKey is WXKCQEFDGHJNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-7-11(8-10(2)13(9)3)12-5-4-6-14-12/h4-7,9-10H,8H2,1-3H3.
What are the key properties of 4-(furan-2-yl)-1,2,6-trimethyl-3,6-dihydro-2H-pyridine?
4-(furan-2-yl)-1,2,6-trimethyl-3,6-dihydro-2H-pyridine has a molecular weight of 191.27 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-1,2,6-trimethyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 13029627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).