1-tert-butyl-4-ethenyl-3-phenyl-1,3-diazinan-2-one

C16H22N2O — CID 11482320

IUPAC1-tert-butyl-4-ethenyl-3-phenyl-1,3-diazinan-2-one
SMILESC=CC1CCN(C(C)(C)C)C(=O)N1c1ccccc1
InChIInChI=1S/C16H22N2O/c1-5-13-11-12-17(16(2,3)4)15(19)18(13)14-9-7-6-8-10-14/h5-10,13H,1,11-12H2,2-4H3
InChIKeyCRCJBDLGXUZWHV-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.67
Rot. Bonds2

About 1-tert-butyl-4-ethenyl-3-phenyl-1,3-diazinan-2-one

1-tert-butyl-4-ethenyl-3-phenyl-1,3-diazinan-2-one (PubChem CID 11482320) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-tert-butyl-4-ethenyl-3-phenyl-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-tert-butyl-4-ethenyl-3-phenyl-1,3-diazinan-2-one
PubChem CID11482320
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name1-tert-butyl-4-ethenyl-3-phenyl-1,3-diazinan-2-one
SMILESC=CC1CCN(C(C)(C)C)C(=O)N1c1ccccc1
InChIInChI=1S/C16H22N2O/c1-5-13-11-12-17(16(2,3)4)15(19)18(13)14-9-7-6-8-10-14/h5-10,13H,1,11-12H2,2-4H3
InChIKeyCRCJBDLGXUZWHV-UHFFFAOYSA-N
XLogP3.67
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-(4-methyl-2-oxo-3-phenyl-1,3-diazinan-1-yl)propanoic acid
CID 139705211
(4S)-4-ethenyl-3-phenyl-1,3-oxazolidin-2-one
CID 129362731
methyl (4S)-1-tert-butyl-3-phenyl-2-phenylimino-1,3-diazinane-4-carboxylate
CID 10361490
(1-tert-butyl-2-oxopyrrolidin-3-yl)-triphenylphosphanium bromide
CID 22403727
(3R,4S)-3-ethenyl-3-(2-hydroxypropan-2-yl)-1,4-diphenylazetidin-2-one
CID 101377404
(4R)-3-(4-chlorophenyl)-4-ethenyl-1,3-oxazolidin-2-one
CID 134918442
1,3-ditert-butyl-2H-benzimidazole;2-oxobut-3-enoic acid
CID 174146488
benzyl (4S)-1-tert-butyl-3-phenyl-2-phenylimino-1,3-diazinane-4-carboxylate
CID 10411049
1,3-ditert-butyl-1,3-diazepan-2-one
CID 59066323
1-tert-butyl-3-(4-phenylphenyl)azetidin-2-one
CID 86092012
5-methyl-3,4-dimethylidene-1-phenylpyrrolidin-2-one
CID 88552962
1-tert-butyl-3-cyclopropylimidazolidin-2-one
CID 167333583

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-ethenyl-3-phenyl-1,3-diazinan-2-one?
The IUPAC name of 1-tert-butyl-4-ethenyl-3-phenyl-1,3-diazinan-2-one (CID 11482320) is 1-tert-butyl-4-ethenyl-3-phenyl-1,3-diazinan-2-one.
What is the SMILES notation for 1-tert-butyl-4-ethenyl-3-phenyl-1,3-diazinan-2-one?
The canonical SMILES for 1-tert-butyl-4-ethenyl-3-phenyl-1,3-diazinan-2-one is C=CC1CCN(C(C)(C)C)C(=O)N1c1ccccc1.
What is the InChIKey of 1-tert-butyl-4-ethenyl-3-phenyl-1,3-diazinan-2-one?
The InChIKey is CRCJBDLGXUZWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-5-13-11-12-17(16(2,3)4)15(19)18(13)14-9-7-6-8-10-14/h5-10,13H,1,11-12H2,2-4H3.
What are the key properties of 1-tert-butyl-4-ethenyl-3-phenyl-1,3-diazinan-2-one?
1-tert-butyl-4-ethenyl-3-phenyl-1,3-diazinan-2-one has a molecular weight of 258.37 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-ethenyl-3-phenyl-1,3-diazinan-2-one is sourced from PubChem (CID 11482320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).