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

C8H16N2O — CID 58090970

IUPAC1,3-di(propan-2-yl)-1,3-diazetidin-2-one
SMILESCC(C)N1CN(C(C)C)C1=O
InChIInChI=1S/C8H16N2O/c1-6(2)9-5-10(7(3)4)8(9)11/h6-7H,5H2,1-4H3
InChIKeyBBNAMMAMDISJFS-UHFFFAOYSA-N
MW156.23 g/mol
LogP1.50
Rot. Bonds2

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

1,3-di(propan-2-yl)-1,3-diazetidin-2-one (PubChem CID 58090970) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1,3-di(propan-2-yl)-1,3-diazetidin-2-one.

Molecular Properties

Compound Name1,3-di(propan-2-yl)-1,3-diazetidin-2-one
PubChem CID58090970
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1,3-di(propan-2-yl)-1,3-diazetidin-2-one
SMILESCC(C)N1CN(C(C)C)C1=O
InChIInChI=1S/C8H16N2O/c1-6(2)9-5-10(7(3)4)8(9)11/h6-7H,5H2,1-4H3
InChIKeyBBNAMMAMDISJFS-UHFFFAOYSA-N
XLogP1.50
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N,N',N'-Tetrapropan-2-ylurea
CID 12820359
1,1,3-Trimethyl-3-propan-2-ylurea
CID 19962444
1,1-Dimethyl-3,3-di(propan-2-yl)urea
CID 20351751
4-Ethyl-1,3-dimethyl-1,3-diazetidin-2-one
CID 23071248
1,3-Di(propan-2-yl)-1,3-diazetidine-2,4-dione
CID 12459303
1,1-Diethyl-3,3-di(propan-2-yl)urea
CID 12820356
1,3-Dimethyl-1,3-di(propan-2-yl)urea
CID 19962440
1-Ethyl-1,3-dimethyl-3-propan-2-ylurea
CID 19962451
4-Methyl-1,3-di(propan-2-yl)-1,3-diazetidin-2-one
CID 58090982
1-Propan-2-yl-1,3-diazetidin-2-one
CID 58436433
1-Ethyl-3-methyl-1,3-diazetidin-2-one
CID 59011662
1-(3-Propan-2-yl-1,3-diazetidin-1-yl)propan-1-one
CID 59216547

Frequently Asked Questions

What is the IUPAC name of 1,3-di(propan-2-yl)-1,3-diazetidin-2-one?
The IUPAC name of 1,3-di(propan-2-yl)-1,3-diazetidin-2-one (CID 58090970) is 1,3-di(propan-2-yl)-1,3-diazetidin-2-one.
What is the SMILES notation for 1,3-di(propan-2-yl)-1,3-diazetidin-2-one?
The canonical SMILES for 1,3-di(propan-2-yl)-1,3-diazetidin-2-one is CC(C)N1CN(C(C)C)C1=O.
What is the InChIKey of 1,3-di(propan-2-yl)-1,3-diazetidin-2-one?
The InChIKey is BBNAMMAMDISJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-6(2)9-5-10(7(3)4)8(9)11/h6-7H,5H2,1-4H3.
What are the key properties of 1,3-di(propan-2-yl)-1,3-diazetidin-2-one?
1,3-di(propan-2-yl)-1,3-diazetidin-2-one has a molecular weight of 156.23 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(propan-2-yl)-1,3-diazetidin-2-one is sourced from PubChem (CID 58090970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).