4-(3,6-dihydro-2H-pyran-4-yl)-1-methyl-3,6-dihydro-2H-pyridine

C11H17NO — CID 146561681

IUPAC4-(3,6-dihydro-2H-pyran-4-yl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCN1CC=C(C2=CCOCC2)CC1
InChIInChI=1S/C11H17NO/c1-12-6-2-10(3-7-12)11-4-8-13-9-5-11/h2,4H,3,5-9H2,1H3
InChIKeyVBYWJVWOTGPSJJ-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.60
Rot. Bonds1

About 4-(3,6-dihydro-2H-pyran-4-yl)-1-methyl-3,6-dihydro-2H-pyridine

4-(3,6-dihydro-2H-pyran-4-yl)-1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 146561681) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4-(3,6-dihydro-2H-pyran-4-yl)-1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-(3,6-dihydro-2H-pyran-4-yl)-1-methyl-3,6-dihydro-2H-pyridine
PubChem CID146561681
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4-(3,6-dihydro-2H-pyran-4-yl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCN1CC=C(C2=CCOCC2)CC1
InChIInChI=1S/C11H17NO/c1-12-6-2-10(3-7-12)11-4-8-13-9-5-11/h2,4H,3,5-9H2,1H3
InChIKeyVBYWJVWOTGPSJJ-UHFFFAOYSA-N
XLogP1.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[cyclohexen-1-yl(methoxy)methyl]-N-ethylethanamine
CID 123429243
tert-butyl 4-(3,6-dihydro-2H-pyran-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 146498266
1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;4-propan-2-yl-3,6-dihydro-2H-pyran
CID 160365584
3-[(8aR)-3,4,8,8a-tetrahydro-2H-chromen-6-yl]-N-ethyl-N-propylpropan-1-amine
CID 170077229
2,7-diethyl-5-(methoxymethyl)-3,4,7,8-tetrahydro-1H-isoquinoline
CID 171523692
4-(5-methoxycyclohexa-1,3-dien-1-yl)-1-methyl-3,6-dihydro-2H-pyridine
CID 175756671
5-(3,6-dihydro-2H-pyran-4-yl)-1-propyl-1,2,3,6-tetrahydropyridine
CID 165495116
5-(3,6-dihydro-2H-pyran-4-yl)-1-methyl-1,2,3,6-tetrahydropyridine
CID 165532294
5-(3,6-dihydro-2H-pyran-4-yl)-1-ethyl-1,2,3,6-tetrahydropyridine
CID 165566641
5-(3,6-dihydro-2H-pyran-4-yl)-1-(propan-2-yl)-1,2,3,6-tetrahydropyridine
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Frequently Asked Questions

What is the IUPAC name of 4-(3,6-dihydro-2H-pyran-4-yl)-1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-(3,6-dihydro-2H-pyran-4-yl)-1-methyl-3,6-dihydro-2H-pyridine (CID 146561681) is 4-(3,6-dihydro-2H-pyran-4-yl)-1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-(3,6-dihydro-2H-pyran-4-yl)-1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-(3,6-dihydro-2H-pyran-4-yl)-1-methyl-3,6-dihydro-2H-pyridine is CN1CC=C(C2=CCOCC2)CC1.
What is the InChIKey of 4-(3,6-dihydro-2H-pyran-4-yl)-1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is VBYWJVWOTGPSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-12-6-2-10(3-7-12)11-4-8-13-9-5-11/h2,4H,3,5-9H2,1H3.
What are the key properties of 4-(3,6-dihydro-2H-pyran-4-yl)-1-methyl-3,6-dihydro-2H-pyridine?
4-(3,6-dihydro-2H-pyran-4-yl)-1-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 179.26 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-dihydro-2H-pyran-4-yl)-1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 146561681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).