3-cyclopentyl-3-[(5-methyloxolan-2-yl)methyl]azetidine

C14H25NO — CID 103142961

IUPAC3-cyclopentyl-3-[(5-methyloxolan-2-yl)methyl]azetidine
SMILESCC1CCC(CC2(C3CCCC3)CNC2)O1
InChIInChI=1S/C14H25NO/c1-11-6-7-13(16-11)8-14(9-15-10-14)12-4-2-3-5-12/h11-13,15H,2-10H2,1H3
InChIKeyUDFNMYMQECNEMJ-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.72
Rot. Bonds3

About 3-cyclopentyl-3-[(5-methyloxolan-2-yl)methyl]azetidine

3-cyclopentyl-3-[(5-methyloxolan-2-yl)methyl]azetidine (PubChem CID 103142961) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 3-cyclopentyl-3-[(5-methyloxolan-2-yl)methyl]azetidine.

Molecular Properties

Compound Name3-cyclopentyl-3-[(5-methyloxolan-2-yl)methyl]azetidine
PubChem CID103142961
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name3-cyclopentyl-3-[(5-methyloxolan-2-yl)methyl]azetidine
SMILESCC1CCC(CC2(C3CCCC3)CNC2)O1
InChIInChI=1S/C14H25NO/c1-11-6-7-13(16-11)8-14(9-15-10-14)12-4-2-3-5-12/h11-13,15H,2-10H2,1H3
InChIKeyUDFNMYMQECNEMJ-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-3-[(5-methyloxolan-2-yl)methyl]azetidine?
The IUPAC name of 3-cyclopentyl-3-[(5-methyloxolan-2-yl)methyl]azetidine (CID 103142961) is 3-cyclopentyl-3-[(5-methyloxolan-2-yl)methyl]azetidine.
What is the SMILES notation for 3-cyclopentyl-3-[(5-methyloxolan-2-yl)methyl]azetidine?
The canonical SMILES for 3-cyclopentyl-3-[(5-methyloxolan-2-yl)methyl]azetidine is CC1CCC(CC2(C3CCCC3)CNC2)O1.
What is the InChIKey of 3-cyclopentyl-3-[(5-methyloxolan-2-yl)methyl]azetidine?
The InChIKey is UDFNMYMQECNEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-11-6-7-13(16-11)8-14(9-15-10-14)12-4-2-3-5-12/h11-13,15H,2-10H2,1H3.
What are the key properties of 3-cyclopentyl-3-[(5-methyloxolan-2-yl)methyl]azetidine?
3-cyclopentyl-3-[(5-methyloxolan-2-yl)methyl]azetidine has a molecular weight of 223.36 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-3-[(5-methyloxolan-2-yl)methyl]azetidine is sourced from PubChem (CID 103142961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).