1-methyl-2-(oxan-4-yl)pyrrolidine

C10H19NO — CID 76626708

IUPAC1-methyl-2-(oxan-4-yl)pyrrolidine
SMILESCN1CCCC1C1CCOCC1
InChIInChI=1S/C10H19NO/c1-11-6-2-3-10(11)9-4-7-12-8-5-9/h9-10H,2-8H2,1H3
InChIKeyRPBXROFLZPEMLZ-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.51
Rot. Bonds1

About 1-methyl-2-(oxan-4-yl)pyrrolidine

1-methyl-2-(oxan-4-yl)pyrrolidine (PubChem CID 76626708) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-methyl-2-(oxan-4-yl)pyrrolidine.

Molecular Properties

Compound Name1-methyl-2-(oxan-4-yl)pyrrolidine
PubChem CID76626708
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-methyl-2-(oxan-4-yl)pyrrolidine
SMILESCN1CCCC1C1CCOCC1
InChIInChI=1S/C10H19NO/c1-11-6-2-3-10(11)9-4-7-12-8-5-9/h9-10H,2-8H2,1H3
InChIKeyRPBXROFLZPEMLZ-UHFFFAOYSA-N
XLogP1.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(oxan-4-yl)pyrrolidine?
The IUPAC name of 1-methyl-2-(oxan-4-yl)pyrrolidine (CID 76626708) is 1-methyl-2-(oxan-4-yl)pyrrolidine.
What is the SMILES notation for 1-methyl-2-(oxan-4-yl)pyrrolidine?
The canonical SMILES for 1-methyl-2-(oxan-4-yl)pyrrolidine is CN1CCCC1C1CCOCC1.
What is the InChIKey of 1-methyl-2-(oxan-4-yl)pyrrolidine?
The InChIKey is RPBXROFLZPEMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-11-6-2-3-10(11)9-4-7-12-8-5-9/h9-10H,2-8H2,1H3.
What are the key properties of 1-methyl-2-(oxan-4-yl)pyrrolidine?
1-methyl-2-(oxan-4-yl)pyrrolidine has a molecular weight of 169.27 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(oxan-4-yl)pyrrolidine is sourced from PubChem (CID 76626708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).