1-cyclopentyl-3-(oxan-4-yl)pyrrolidine

C14H25NO — CID 127721176

IUPAC1-cyclopentyl-3-(oxan-4-yl)pyrrolidine
SMILESC1CCC(N2CCC(C3CCOCC3)C2)C1
InChIInChI=1S/C14H25NO/c1-2-4-14(3-1)15-8-5-13(11-15)12-6-9-16-10-7-12/h12-14H,1-11H2
InChIKeyPNUMFRZNUCWCAE-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.68
Rot. Bonds2

About 1-cyclopentyl-3-(oxan-4-yl)pyrrolidine

1-cyclopentyl-3-(oxan-4-yl)pyrrolidine (PubChem CID 127721176) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-cyclopentyl-3-(oxan-4-yl)pyrrolidine.

Molecular Properties

Compound Name1-cyclopentyl-3-(oxan-4-yl)pyrrolidine
PubChem CID127721176
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-cyclopentyl-3-(oxan-4-yl)pyrrolidine
SMILESC1CCC(N2CCC(C3CCOCC3)C2)C1
InChIInChI=1S/C14H25NO/c1-2-4-14(3-1)15-8-5-13(11-15)12-6-9-16-10-7-12/h12-14H,1-11H2
InChIKeyPNUMFRZNUCWCAE-UHFFFAOYSA-N
XLogP2.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(oxan-4-yl)pyrrolidine?
The IUPAC name of 1-cyclopentyl-3-(oxan-4-yl)pyrrolidine (CID 127721176) is 1-cyclopentyl-3-(oxan-4-yl)pyrrolidine.
What is the SMILES notation for 1-cyclopentyl-3-(oxan-4-yl)pyrrolidine?
The canonical SMILES for 1-cyclopentyl-3-(oxan-4-yl)pyrrolidine is C1CCC(N2CCC(C3CCOCC3)C2)C1.
What is the InChIKey of 1-cyclopentyl-3-(oxan-4-yl)pyrrolidine?
The InChIKey is PNUMFRZNUCWCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-2-4-14(3-1)15-8-5-13(11-15)12-6-9-16-10-7-12/h12-14H,1-11H2.
What are the key properties of 1-cyclopentyl-3-(oxan-4-yl)pyrrolidine?
1-cyclopentyl-3-(oxan-4-yl)pyrrolidine has a molecular weight of 223.36 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(oxan-4-yl)pyrrolidine is sourced from PubChem (CID 127721176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).