3-methylpyrrolidine;2H-pyran

C10H17NO — CID 118208254

IUPAC3-methylpyrrolidine;2H-pyran
SMILESC1=CCOC=C1.CC1CCNC1
InChIInChI=1S/C5H11N.C5H6O/c1-5-2-3-6-4-5;1-2-4-6-5-3-1/h5-6H,2-4H2,1H3;1-4H,5H2
InChIKeyXTOMHWGFCJYYKG-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.70
Rot. Bonds

About 3-methylpyrrolidine;2H-pyran

3-methylpyrrolidine;2H-pyran (PubChem CID 118208254) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3-methylpyrrolidine;2H-pyran.

Molecular Properties

Compound Name3-methylpyrrolidine;2H-pyran
PubChem CID118208254
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3-methylpyrrolidine;2H-pyran
SMILESC1=CCOC=C1.CC1CCNC1
InChIInChI=1S/C5H11N.C5H6O/c1-5-2-3-6-4-5;1-2-4-6-5-3-1/h5-6H,2-4H2,1H3;1-4H,5H2
InChIKeyXTOMHWGFCJYYKG-UHFFFAOYSA-N
XLogP1.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylpyrrolidine;2H-pyran?
The IUPAC name of 3-methylpyrrolidine;2H-pyran (CID 118208254) is 3-methylpyrrolidine;2H-pyran.
What is the SMILES notation for 3-methylpyrrolidine;2H-pyran?
The canonical SMILES for 3-methylpyrrolidine;2H-pyran is C1=CCOC=C1.CC1CCNC1.
What is the InChIKey of 3-methylpyrrolidine;2H-pyran?
The InChIKey is XTOMHWGFCJYYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C5H6O/c1-5-2-3-6-4-5;1-2-4-6-5-3-1/h5-6H,2-4H2,1H3;1-4H,5H2.
What are the key properties of 3-methylpyrrolidine;2H-pyran?
3-methylpyrrolidine;2H-pyran has a molecular weight of 167.25 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpyrrolidine;2H-pyran is sourced from PubChem (CID 118208254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).