1-[(2R)-azetidin-2-yl]-2,2-dimethylbutan-1-one

C9H17NO — CID 166686766

IUPAC1-[(2R)-azetidin-2-yl]-2,2-dimethylbutan-1-one
SMILESCCC(C)(C)C(=O)[C@H]1CCN1
InChIInChI=1S/C9H17NO/c1-4-9(2,3)8(11)7-5-6-10-7/h7,10H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyZVOLYMGIPTYTQQ-SSDOTTSWSA-N
MW155.24 g/mol
LogP1.35
Rot. Bonds3

About 1-[(2R)-azetidin-2-yl]-2,2-dimethylbutan-1-one

1-[(2R)-azetidin-2-yl]-2,2-dimethylbutan-1-one (PubChem CID 166686766) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-[(2R)-azetidin-2-yl]-2,2-dimethylbutan-1-one.

Molecular Properties

Compound Name1-[(2R)-azetidin-2-yl]-2,2-dimethylbutan-1-one
PubChem CID166686766
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-[(2R)-azetidin-2-yl]-2,2-dimethylbutan-1-one
SMILESCCC(C)(C)C(=O)[C@H]1CCN1
InChIInChI=1S/C9H17NO/c1-4-9(2,3)8(11)7-5-6-10-7/h7,10H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyZVOLYMGIPTYTQQ-SSDOTTSWSA-N
XLogP1.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-azetidin-2-yl]-2,2-dimethylbutan-1-one?
The IUPAC name of 1-[(2R)-azetidin-2-yl]-2,2-dimethylbutan-1-one (CID 166686766) is 1-[(2R)-azetidin-2-yl]-2,2-dimethylbutan-1-one.
What is the SMILES notation for 1-[(2R)-azetidin-2-yl]-2,2-dimethylbutan-1-one?
The canonical SMILES for 1-[(2R)-azetidin-2-yl]-2,2-dimethylbutan-1-one is CCC(C)(C)C(=O)[C@H]1CCN1.
What is the InChIKey of 1-[(2R)-azetidin-2-yl]-2,2-dimethylbutan-1-one?
The InChIKey is ZVOLYMGIPTYTQQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-9(2,3)8(11)7-5-6-10-7/h7,10H,4-6H2,1-3H3/t7-/m1/s1.
What are the key properties of 1-[(2R)-azetidin-2-yl]-2,2-dimethylbutan-1-one?
1-[(2R)-azetidin-2-yl]-2,2-dimethylbutan-1-one has a molecular weight of 155.24 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-azetidin-2-yl]-2,2-dimethylbutan-1-one is sourced from PubChem (CID 166686766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).