3,6-dihydro-2H-pyran;3-methylpyrrolidine

C10H19NO — CID 178086443

IUPAC3,6-dihydro-2H-pyran;3-methylpyrrolidine
SMILESC1=CCOCC1.CC1CCNC1
InChIInChI=1S/C5H11N.C5H8O/c1-5-2-3-6-4-5;1-2-4-6-5-3-1/h5-6H,2-4H2,1H3;1-2H,3-5H2
InChIKeyOYRAGEHQIRCBNA-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.58
Rot. Bonds

About 3,6-dihydro-2H-pyran;3-methylpyrrolidine

3,6-dihydro-2H-pyran;3-methylpyrrolidine (PubChem CID 178086443) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3,6-dihydro-2H-pyran;3-methylpyrrolidine.

Molecular Properties

Compound Name3,6-dihydro-2H-pyran;3-methylpyrrolidine
PubChem CID178086443
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3,6-dihydro-2H-pyran;3-methylpyrrolidine
SMILESC1=CCOCC1.CC1CCNC1
InChIInChI=1S/C5H11N.C5H8O/c1-5-2-3-6-4-5;1-2-4-6-5-3-1/h5-6H,2-4H2,1H3;1-2H,3-5H2
InChIKeyOYRAGEHQIRCBNA-UHFFFAOYSA-N
XLogP1.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,6-dihydro-2H-pyran;3-methylpyrrolidine?
The IUPAC name of 3,6-dihydro-2H-pyran;3-methylpyrrolidine (CID 178086443) is 3,6-dihydro-2H-pyran;3-methylpyrrolidine.
What is the SMILES notation for 3,6-dihydro-2H-pyran;3-methylpyrrolidine?
The canonical SMILES for 3,6-dihydro-2H-pyran;3-methylpyrrolidine is C1=CCOCC1.CC1CCNC1.
What is the InChIKey of 3,6-dihydro-2H-pyran;3-methylpyrrolidine?
The InChIKey is OYRAGEHQIRCBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C5H8O/c1-5-2-3-6-4-5;1-2-4-6-5-3-1/h5-6H,2-4H2,1H3;1-2H,3-5H2.
What are the key properties of 3,6-dihydro-2H-pyran;3-methylpyrrolidine?
3,6-dihydro-2H-pyran;3-methylpyrrolidine has a molecular weight of 169.27 g/mol, XLogP of 1.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydro-2H-pyran;3-methylpyrrolidine is sourced from PubChem (CID 178086443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).