1-(3-ethylazetidin-1-yl)-2,2-dimethylpropan-1-one

C10H19NO — CID 89150280

IUPAC1-(3-ethylazetidin-1-yl)-2,2-dimethylpropan-1-one
SMILESCCC1CN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C10H19NO/c1-5-8-6-11(7-8)9(12)10(2,3)4/h8H,5-7H2,1-4H3
InChIKeyCSONTRFUIFLYNH-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.90
Rot. Bonds1

About 1-(3-ethylazetidin-1-yl)-2,2-dimethylpropan-1-one

1-(3-ethylazetidin-1-yl)-2,2-dimethylpropan-1-one (PubChem CID 89150280) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-(3-ethylazetidin-1-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(3-ethylazetidin-1-yl)-2,2-dimethylpropan-1-one
PubChem CID89150280
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-(3-ethylazetidin-1-yl)-2,2-dimethylpropan-1-one
SMILESCCC1CN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C10H19NO/c1-5-8-6-11(7-8)9(12)10(2,3)4/h8H,5-7H2,1-4H3
InChIKeyCSONTRFUIFLYNH-UHFFFAOYSA-N
XLogP1.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylazetidin-1-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(3-ethylazetidin-1-yl)-2,2-dimethylpropan-1-one (CID 89150280) is 1-(3-ethylazetidin-1-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(3-ethylazetidin-1-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(3-ethylazetidin-1-yl)-2,2-dimethylpropan-1-one is CCC1CN(C(=O)C(C)(C)C)C1.
What is the InChIKey of 1-(3-ethylazetidin-1-yl)-2,2-dimethylpropan-1-one?
The InChIKey is CSONTRFUIFLYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-5-8-6-11(7-8)9(12)10(2,3)4/h8H,5-7H2,1-4H3.
What are the key properties of 1-(3-ethylazetidin-1-yl)-2,2-dimethylpropan-1-one?
1-(3-ethylazetidin-1-yl)-2,2-dimethylpropan-1-one has a molecular weight of 169.27 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylazetidin-1-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 89150280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).