1-(3-propan-2-yl-1,3-diazetidin-1-yl)propan-1-one

C8H16N2O — CID 59216547

IUPAC1-(3-propan-2-yl-1,3-diazetidin-1-yl)propan-1-one
SMILESCCC(=O)N1CN(C(C)C)C1
InChIInChI=1S/C8H16N2O/c1-4-8(11)10-5-9(6-10)7(2)3/h7H,4-6H2,1-3H3
InChIKeyOJWNTRAXFPRUSR-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.86
Rot. Bonds2

About 1-(3-propan-2-yl-1,3-diazetidin-1-yl)propan-1-one

1-(3-propan-2-yl-1,3-diazetidin-1-yl)propan-1-one (PubChem CID 59216547) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-(3-propan-2-yl-1,3-diazetidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-propan-2-yl-1,3-diazetidin-1-yl)propan-1-one
PubChem CID59216547
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-(3-propan-2-yl-1,3-diazetidin-1-yl)propan-1-one
SMILESCCC(=O)N1CN(C(C)C)C1
InChIInChI=1S/C8H16N2O/c1-4-8(11)10-5-9(6-10)7(2)3/h7H,4-6H2,1-3H3
InChIKeyOJWNTRAXFPRUSR-UHFFFAOYSA-N
XLogP0.86
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 ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-yl-1,3-diazetidin-1-yl)propan-1-one?
The IUPAC name of 1-(3-propan-2-yl-1,3-diazetidin-1-yl)propan-1-one (CID 59216547) is 1-(3-propan-2-yl-1,3-diazetidin-1-yl)propan-1-one.
What is the SMILES notation for 1-(3-propan-2-yl-1,3-diazetidin-1-yl)propan-1-one?
The canonical SMILES for 1-(3-propan-2-yl-1,3-diazetidin-1-yl)propan-1-one is CCC(=O)N1CN(C(C)C)C1.
What is the InChIKey of 1-(3-propan-2-yl-1,3-diazetidin-1-yl)propan-1-one?
The InChIKey is OJWNTRAXFPRUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-4-8(11)10-5-9(6-10)7(2)3/h7H,4-6H2,1-3H3.
What are the key properties of 1-(3-propan-2-yl-1,3-diazetidin-1-yl)propan-1-one?
1-(3-propan-2-yl-1,3-diazetidin-1-yl)propan-1-one has a molecular weight of 156.23 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-yl-1,3-diazetidin-1-yl)propan-1-one is sourced from PubChem (CID 59216547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).