5-(3,6-dihydro-2H-pyran-4-yl)-1-propyl-3,6-dihydro-2H-pyridine

C13H21NO — CID 165495116

IUPAC5-(3,6-dihydro-2H-pyran-4-yl)-1-propyl-3,6-dihydro-2H-pyridine
SMILESCCCN1CCC=C(C2=CCOCC2)C1
InChIInChI=1S/C13H21NO/c1-2-7-14-8-3-4-13(11-14)12-5-9-15-10-6-12/h4-5H,2-3,6-11H2,1H3
InChIKeyRVFMFLJYYMCPNI-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.38
Rot. Bonds3

About 5-(3,6-dihydro-2H-pyran-4-yl)-1-propyl-3,6-dihydro-2H-pyridine

5-(3,6-dihydro-2H-pyran-4-yl)-1-propyl-3,6-dihydro-2H-pyridine (PubChem CID 165495116) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 5-(3,6-dihydro-2H-pyran-4-yl)-1-propyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-(3,6-dihydro-2H-pyran-4-yl)-1-propyl-3,6-dihydro-2H-pyridine
PubChem CID165495116
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name5-(3,6-dihydro-2H-pyran-4-yl)-1-propyl-3,6-dihydro-2H-pyridine
SMILESCCCN1CCC=C(C2=CCOCC2)C1
InChIInChI=1S/C13H21NO/c1-2-7-14-8-3-4-13(11-14)12-5-9-15-10-6-12/h4-5H,2-3,6-11H2,1H3
InChIKeyRVFMFLJYYMCPNI-UHFFFAOYSA-N
XLogP2.38
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3,6-dihydro-2H-pyran-4-yl)-1-propyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-(3,6-dihydro-2H-pyran-4-yl)-1-propyl-3,6-dihydro-2H-pyridine (CID 165495116) is 5-(3,6-dihydro-2H-pyran-4-yl)-1-propyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-(3,6-dihydro-2H-pyran-4-yl)-1-propyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-(3,6-dihydro-2H-pyran-4-yl)-1-propyl-3,6-dihydro-2H-pyridine is CCCN1CCC=C(C2=CCOCC2)C1.
What is the InChIKey of 5-(3,6-dihydro-2H-pyran-4-yl)-1-propyl-3,6-dihydro-2H-pyridine?
The InChIKey is RVFMFLJYYMCPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-2-7-14-8-3-4-13(11-14)12-5-9-15-10-6-12/h4-5H,2-3,6-11H2,1H3.
What are the key properties of 5-(3,6-dihydro-2H-pyran-4-yl)-1-propyl-3,6-dihydro-2H-pyridine?
5-(3,6-dihydro-2H-pyran-4-yl)-1-propyl-3,6-dihydro-2H-pyridine has a molecular weight of 207.32 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,6-dihydro-2H-pyran-4-yl)-1-propyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 165495116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).