1-(2-methoxy-3,6-dihydro-2H-pyran-5-yl)pyrrolidine

C10H17NO2 — CID 14708178

IUPAC1-(2-methoxy-3,6-dihydro-2H-pyran-5-yl)pyrrolidine
SMILESCOC1CC=C(N2CCCC2)CO1
InChIInChI=1S/C10H17NO2/c1-12-10-5-4-9(8-13-10)11-6-2-3-7-11/h4,10H,2-3,5-8H2,1H3
InChIKeyBBQRSXJJXMNXKA-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.36
Rot. Bonds2

About 1-(2-methoxy-3,6-dihydro-2H-pyran-5-yl)pyrrolidine

1-(2-methoxy-3,6-dihydro-2H-pyran-5-yl)pyrrolidine (PubChem CID 14708178) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-(2-methoxy-3,6-dihydro-2H-pyran-5-yl)pyrrolidine.

Molecular Properties

Compound Name1-(2-methoxy-3,6-dihydro-2H-pyran-5-yl)pyrrolidine
PubChem CID14708178
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-(2-methoxy-3,6-dihydro-2H-pyran-5-yl)pyrrolidine
SMILESCOC1CC=C(N2CCCC2)CO1
InChIInChI=1S/C10H17NO2/c1-12-10-5-4-9(8-13-10)11-6-2-3-7-11/h4,10H,2-3,5-8H2,1H3
InChIKeyBBQRSXJJXMNXKA-UHFFFAOYSA-N
XLogP1.36
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3,6-dihydro-2H-pyran-5-yl)pyrrolidine?
The IUPAC name of 1-(2-methoxy-3,6-dihydro-2H-pyran-5-yl)pyrrolidine (CID 14708178) is 1-(2-methoxy-3,6-dihydro-2H-pyran-5-yl)pyrrolidine.
What is the SMILES notation for 1-(2-methoxy-3,6-dihydro-2H-pyran-5-yl)pyrrolidine?
The canonical SMILES for 1-(2-methoxy-3,6-dihydro-2H-pyran-5-yl)pyrrolidine is COC1CC=C(N2CCCC2)CO1.
What is the InChIKey of 1-(2-methoxy-3,6-dihydro-2H-pyran-5-yl)pyrrolidine?
The InChIKey is BBQRSXJJXMNXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-12-10-5-4-9(8-13-10)11-6-2-3-7-11/h4,10H,2-3,5-8H2,1H3.
What are the key properties of 1-(2-methoxy-3,6-dihydro-2H-pyran-5-yl)pyrrolidine?
1-(2-methoxy-3,6-dihydro-2H-pyran-5-yl)pyrrolidine has a molecular weight of 183.25 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3,6-dihydro-2H-pyran-5-yl)pyrrolidine is sourced from PubChem (CID 14708178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).