2-(3-ethyl-3-methylazetidin-1-yl)cyclopentan-1-one

C11H19NO — CID 130948290

IUPAC2-(3-ethyl-3-methylazetidin-1-yl)cyclopentan-1-one
SMILESCCC1(C)CN(C2CCCC2=O)C1
InChIInChI=1S/C11H19NO/c1-3-11(2)7-12(8-11)9-5-4-6-10(9)13/h9H,3-8H2,1-2H3
InChIKeyDWPNFCNVJWQGAO-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.84
Rot. Bonds2

About 2-(3-ethyl-3-methylazetidin-1-yl)cyclopentan-1-one

2-(3-ethyl-3-methylazetidin-1-yl)cyclopentan-1-one (PubChem CID 130948290) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-(3-ethyl-3-methylazetidin-1-yl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(3-ethyl-3-methylazetidin-1-yl)cyclopentan-1-one
PubChem CID130948290
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-(3-ethyl-3-methylazetidin-1-yl)cyclopentan-1-one
SMILESCCC1(C)CN(C2CCCC2=O)C1
InChIInChI=1S/C11H19NO/c1-3-11(2)7-12(8-11)9-5-4-6-10(9)13/h9H,3-8H2,1-2H3
InChIKeyDWPNFCNVJWQGAO-UHFFFAOYSA-N
XLogP1.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-3-methylazetidin-1-yl)cyclopentan-1-one?
The IUPAC name of 2-(3-ethyl-3-methylazetidin-1-yl)cyclopentan-1-one (CID 130948290) is 2-(3-ethyl-3-methylazetidin-1-yl)cyclopentan-1-one.
What is the SMILES notation for 2-(3-ethyl-3-methylazetidin-1-yl)cyclopentan-1-one?
The canonical SMILES for 2-(3-ethyl-3-methylazetidin-1-yl)cyclopentan-1-one is CCC1(C)CN(C2CCCC2=O)C1.
What is the InChIKey of 2-(3-ethyl-3-methylazetidin-1-yl)cyclopentan-1-one?
The InChIKey is DWPNFCNVJWQGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-11(2)7-12(8-11)9-5-4-6-10(9)13/h9H,3-8H2,1-2H3.
What are the key properties of 2-(3-ethyl-3-methylazetidin-1-yl)cyclopentan-1-one?
2-(3-ethyl-3-methylazetidin-1-yl)cyclopentan-1-one has a molecular weight of 181.28 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-3-methylazetidin-1-yl)cyclopentan-1-one is sourced from PubChem (CID 130948290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).