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

C9H18N2O — CID 58090982

IUPAC4-methyl-1,3-di(propan-2-yl)-1,3-diazetidin-2-one
SMILESCC(C)N1C(=O)N(C(C)C)C1C
InChIInChI=1S/C9H18N2O/c1-6(2)10-8(5)11(7(3)4)9(10)12/h6-8H,1-5H3
InChIKeyUJCMNOGTGBTCMN-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.89
Rot. Bonds2

About 4-methyl-1,3-di(propan-2-yl)-1,3-diazetidin-2-one

4-methyl-1,3-di(propan-2-yl)-1,3-diazetidin-2-one (PubChem CID 58090982) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 4-methyl-1,3-di(propan-2-yl)-1,3-diazetidin-2-one.

Molecular Properties

Compound Name4-methyl-1,3-di(propan-2-yl)-1,3-diazetidin-2-one
PubChem CID58090982
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name4-methyl-1,3-di(propan-2-yl)-1,3-diazetidin-2-one
SMILESCC(C)N1C(=O)N(C(C)C)C1C
InChIInChI=1S/C9H18N2O/c1-6(2)10-8(5)11(7(3)4)9(10)12/h6-8H,1-5H3
InChIKeyUJCMNOGTGBTCMN-UHFFFAOYSA-N
XLogP1.89
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.89
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-Dimethyl-3,3-di(propan-2-yl)urea
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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
1,3-Di(propan-2-yl)-1,3-diazetidin-2-one
CID 58090970
N-methyl-N-(3-methylbutan-2-yl)azetidine-1-carboxamide
CID 68220889
1,1-Dimethyl-3-propan-2-yl-3-propylurea
CID 84515032
Dimethylcarbamoyl-ethyl-di(propan-2-yl)azanium
CID 87865725
1,1-Diethyl-3-methyl-3-propan-2-ylurea
CID 89002923
N-methyl-N-[(2S)-3-methylbutan-2-yl]azetidine-1-carboxamide
CID 89425441

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,3-di(propan-2-yl)-1,3-diazetidin-2-one?
The IUPAC name of 4-methyl-1,3-di(propan-2-yl)-1,3-diazetidin-2-one (CID 58090982) is 4-methyl-1,3-di(propan-2-yl)-1,3-diazetidin-2-one.
What is the SMILES notation for 4-methyl-1,3-di(propan-2-yl)-1,3-diazetidin-2-one?
The canonical SMILES for 4-methyl-1,3-di(propan-2-yl)-1,3-diazetidin-2-one is CC(C)N1C(=O)N(C(C)C)C1C.
What is the InChIKey of 4-methyl-1,3-di(propan-2-yl)-1,3-diazetidin-2-one?
The InChIKey is UJCMNOGTGBTCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-6(2)10-8(5)11(7(3)4)9(10)12/h6-8H,1-5H3.
What are the key properties of 4-methyl-1,3-di(propan-2-yl)-1,3-diazetidin-2-one?
4-methyl-1,3-di(propan-2-yl)-1,3-diazetidin-2-one has a molecular weight of 170.26 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3-di(propan-2-yl)-1,3-diazetidin-2-one is sourced from PubChem (CID 58090982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).