2-(azetidin-1-yl)-1-(3,3-dimethylazetidin-1-yl)ethanone

C10H18N2O — CID 127000154

IUPAC2-(azetidin-1-yl)-1-(3,3-dimethylazetidin-1-yl)ethanone
SMILESCC1(C)CN(C(=O)CN2CCC2)C1
InChIInChI=1S/C10H18N2O/c1-10(2)7-12(8-10)9(13)6-11-4-3-5-11/h3-8H2,1-2H3
InChIKeyTWLDYLDGDXPPFB-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.56
Rot. Bonds2

About 2-(azetidin-1-yl)-1-(3,3-dimethylazetidin-1-yl)ethanone

2-(azetidin-1-yl)-1-(3,3-dimethylazetidin-1-yl)ethanone (PubChem CID 127000154) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-(azetidin-1-yl)-1-(3,3-dimethylazetidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(azetidin-1-yl)-1-(3,3-dimethylazetidin-1-yl)ethanone
PubChem CID127000154
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-(azetidin-1-yl)-1-(3,3-dimethylazetidin-1-yl)ethanone
SMILESCC1(C)CN(C(=O)CN2CCC2)C1
InChIInChI=1S/C10H18N2O/c1-10(2)7-12(8-10)9(13)6-11-4-3-5-11/h3-8H2,1-2H3
InChIKeyTWLDYLDGDXPPFB-UHFFFAOYSA-N
XLogP0.56
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-yl)-1-(3,3-dimethylazetidin-1-yl)ethanone?
The IUPAC name of 2-(azetidin-1-yl)-1-(3,3-dimethylazetidin-1-yl)ethanone (CID 127000154) is 2-(azetidin-1-yl)-1-(3,3-dimethylazetidin-1-yl)ethanone.
What is the SMILES notation for 2-(azetidin-1-yl)-1-(3,3-dimethylazetidin-1-yl)ethanone?
The canonical SMILES for 2-(azetidin-1-yl)-1-(3,3-dimethylazetidin-1-yl)ethanone is CC1(C)CN(C(=O)CN2CCC2)C1.
What is the InChIKey of 2-(azetidin-1-yl)-1-(3,3-dimethylazetidin-1-yl)ethanone?
The InChIKey is TWLDYLDGDXPPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-10(2)7-12(8-10)9(13)6-11-4-3-5-11/h3-8H2,1-2H3.
What are the key properties of 2-(azetidin-1-yl)-1-(3,3-dimethylazetidin-1-yl)ethanone?
2-(azetidin-1-yl)-1-(3,3-dimethylazetidin-1-yl)ethanone has a molecular weight of 182.27 g/mol, XLogP of 0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-yl)-1-(3,3-dimethylazetidin-1-yl)ethanone is sourced from PubChem (CID 127000154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).