(4R,5R)-1,3-ditert-butyl-4-ethenyl-5-propylimidazolidin-2-one

C16H30N2O — CID 23625132

IUPAC(4R,5R)-1,3-ditert-butyl-4-ethenyl-5-propylimidazolidin-2-one
SMILESC=C[C@@H]1[C@@H](CCC)N(C(C)(C)C)C(=O)N1C(C)(C)C
InChIInChI=1S/C16H30N2O/c1-9-11-13-12(10-2)17(15(3,4)5)14(19)18(13)16(6,7)8/h10,12-13H,2,9,11H2,1,3-8H3/t12-,13-/m1/s1
InChIKeyBHGZABDYBYCPKE-CHWSQXEVSA-N
MW266.43 g/mol
LogP4.04
Rot. Bonds3

About (4R,5R)-1,3-ditert-butyl-4-ethenyl-5-propylimidazolidin-2-one

(4R,5R)-1,3-ditert-butyl-4-ethenyl-5-propylimidazolidin-2-one (PubChem CID 23625132) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is (4R,5R)-1,3-ditert-butyl-4-ethenyl-5-propylimidazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-1,3-ditert-butyl-4-ethenyl-5-propylimidazolidin-2-one
PubChem CID23625132
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name(4R,5R)-1,3-ditert-butyl-4-ethenyl-5-propylimidazolidin-2-one
SMILESC=C[C@@H]1[C@@H](CCC)N(C(C)(C)C)C(=O)N1C(C)(C)C
InChIInChI=1S/C16H30N2O/c1-9-11-13-12(10-2)17(15(3,4)5)14(19)18(13)16(6,7)8/h10,12-13H,2,9,11H2,1,3-8H3/t12-,13-/m1/s1
InChIKeyBHGZABDYBYCPKE-CHWSQXEVSA-N
XLogP4.04
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-1,3-ditert-butyl-4-ethenyl-5-propylimidazolidin-2-one?
The IUPAC name of (4R,5R)-1,3-ditert-butyl-4-ethenyl-5-propylimidazolidin-2-one (CID 23625132) is (4R,5R)-1,3-ditert-butyl-4-ethenyl-5-propylimidazolidin-2-one.
What is the SMILES notation for (4R,5R)-1,3-ditert-butyl-4-ethenyl-5-propylimidazolidin-2-one?
The canonical SMILES for (4R,5R)-1,3-ditert-butyl-4-ethenyl-5-propylimidazolidin-2-one is C=C[C@@H]1[C@@H](CCC)N(C(C)(C)C)C(=O)N1C(C)(C)C.
What is the InChIKey of (4R,5R)-1,3-ditert-butyl-4-ethenyl-5-propylimidazolidin-2-one?
The InChIKey is BHGZABDYBYCPKE-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H30N2O/c1-9-11-13-12(10-2)17(15(3,4)5)14(19)18(13)16(6,7)8/h10,12-13H,2,9,11H2,1,3-8H3/t12-,13-/m1/s1.
What are the key properties of (4R,5R)-1,3-ditert-butyl-4-ethenyl-5-propylimidazolidin-2-one?
(4R,5R)-1,3-ditert-butyl-4-ethenyl-5-propylimidazolidin-2-one has a molecular weight of 266.43 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-1,3-ditert-butyl-4-ethenyl-5-propylimidazolidin-2-one is sourced from PubChem (CID 23625132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).