3,5,5-trimethyl-1-propan-2-yl-2-propan-2-ylideneimidazolidin-4-one

C12H22N2O — CID 59344702

IUPAC3,5,5-trimethyl-1-propan-2-yl-2-propan-2-ylideneimidazolidin-4-one
SMILESCC(C)=C1N(C)C(=O)C(C)(C)N1C(C)C
InChIInChI=1S/C12H22N2O/c1-8(2)10-13(7)11(15)12(5,6)14(10)9(3)4/h9H,1-7H3
InChIKeyDZOGJIIZWFQFBI-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.20
Rot. Bonds1

About 3,5,5-trimethyl-1-propan-2-yl-2-propan-2-ylideneimidazolidin-4-one

3,5,5-trimethyl-1-propan-2-yl-2-propan-2-ylideneimidazolidin-4-one (PubChem CID 59344702) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 3,5,5-trimethyl-1-propan-2-yl-2-propan-2-ylideneimidazolidin-4-one.

Molecular Properties

Compound Name3,5,5-trimethyl-1-propan-2-yl-2-propan-2-ylideneimidazolidin-4-one
PubChem CID59344702
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name3,5,5-trimethyl-1-propan-2-yl-2-propan-2-ylideneimidazolidin-4-one
SMILESCC(C)=C1N(C)C(=O)C(C)(C)N1C(C)C
InChIInChI=1S/C12H22N2O/c1-8(2)10-13(7)11(15)12(5,6)14(10)9(3)4/h9H,1-7H3
InChIKeyDZOGJIIZWFQFBI-UHFFFAOYSA-N
XLogP2.20
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5,5-trimethyl-1-propan-2-yl-2-propan-2-ylideneimidazolidin-4-one?
The IUPAC name of 3,5,5-trimethyl-1-propan-2-yl-2-propan-2-ylideneimidazolidin-4-one (CID 59344702) is 3,5,5-trimethyl-1-propan-2-yl-2-propan-2-ylideneimidazolidin-4-one.
What is the SMILES notation for 3,5,5-trimethyl-1-propan-2-yl-2-propan-2-ylideneimidazolidin-4-one?
The canonical SMILES for 3,5,5-trimethyl-1-propan-2-yl-2-propan-2-ylideneimidazolidin-4-one is CC(C)=C1N(C)C(=O)C(C)(C)N1C(C)C.
What is the InChIKey of 3,5,5-trimethyl-1-propan-2-yl-2-propan-2-ylideneimidazolidin-4-one?
The InChIKey is DZOGJIIZWFQFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-8(2)10-13(7)11(15)12(5,6)14(10)9(3)4/h9H,1-7H3.
What are the key properties of 3,5,5-trimethyl-1-propan-2-yl-2-propan-2-ylideneimidazolidin-4-one?
3,5,5-trimethyl-1-propan-2-yl-2-propan-2-ylideneimidazolidin-4-one has a molecular weight of 210.32 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethyl-1-propan-2-yl-2-propan-2-ylideneimidazolidin-4-one is sourced from PubChem (CID 59344702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).