(2S)-1-(azetidin-1-yl)-2-(dimethylamino)propan-1-one

C8H16N2O — CID 70323743

IUPAC(2S)-1-(azetidin-1-yl)-2-(dimethylamino)propan-1-one
SMILESC[C@@H](C(=O)N1CCC1)N(C)C
InChIInChI=1S/C8H16N2O/c1-7(9(2)3)8(11)10-5-4-6-10/h7H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyBYUHYSJERKBPJJ-ZETCQYMHSA-N
MW156.23 g/mol
LogP0.17
Rot. Bonds2

About (2S)-1-(azetidin-1-yl)-2-(dimethylamino)propan-1-one

(2S)-1-(azetidin-1-yl)-2-(dimethylamino)propan-1-one (PubChem CID 70323743) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is (2S)-1-(azetidin-1-yl)-2-(dimethylamino)propan-1-one.

Molecular Properties

Compound Name(2S)-1-(azetidin-1-yl)-2-(dimethylamino)propan-1-one
PubChem CID70323743
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name(2S)-1-(azetidin-1-yl)-2-(dimethylamino)propan-1-one
SMILESC[C@@H](C(=O)N1CCC1)N(C)C
InChIInChI=1S/C8H16N2O/c1-7(9(2)3)8(11)10-5-4-6-10/h7H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyBYUHYSJERKBPJJ-ZETCQYMHSA-N
XLogP0.17
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(azetidin-1-yl)-2-(dimethylamino)propan-1-one?
The IUPAC name of (2S)-1-(azetidin-1-yl)-2-(dimethylamino)propan-1-one (CID 70323743) is (2S)-1-(azetidin-1-yl)-2-(dimethylamino)propan-1-one.
What is the SMILES notation for (2S)-1-(azetidin-1-yl)-2-(dimethylamino)propan-1-one?
The canonical SMILES for (2S)-1-(azetidin-1-yl)-2-(dimethylamino)propan-1-one is C[C@@H](C(=O)N1CCC1)N(C)C.
What is the InChIKey of (2S)-1-(azetidin-1-yl)-2-(dimethylamino)propan-1-one?
The InChIKey is BYUHYSJERKBPJJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H16N2O/c1-7(9(2)3)8(11)10-5-4-6-10/h7H,4-6H2,1-3H3/t7-/m0/s1.
What are the key properties of (2S)-1-(azetidin-1-yl)-2-(dimethylamino)propan-1-one?
(2S)-1-(azetidin-1-yl)-2-(dimethylamino)propan-1-one has a molecular weight of 156.23 g/mol, XLogP of 0.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(azetidin-1-yl)-2-(dimethylamino)propan-1-one is sourced from PubChem (CID 70323743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).