(5R,6R)-5-benzoyl-4-methylidene-6-(3-methylphenyl)-1,3-diazinan-2-one

C19H18N2O2 — CID 2369403

IUPAC(5R,6R)-5-benzoyl-4-methylidene-6-(3-methylphenyl)-1,3-diazinan-2-one
SMILESC=C1NC(=O)N[C@@H](c2cccc(C)c2)[C@H]1C(=O)c1ccccc1
InChIInChI=1S/C19H18N2O2/c1-12-7-6-10-15(11-12)17-16(13(2)20-19(23)21-17)18(22)14-8-4-3-5-9-14/h3-11,16-17H,2H2,1H3,(H2,20,21,23)/t16-,17-/m0/s1
InChIKeyCWIXYKHETSRVBG-IRXDYDNUSA-N
MW306.37 g/mol
LogP3.36
Rot. Bonds3

About (5R,6R)-5-benzoyl-4-methylidene-6-(3-methylphenyl)-1,3-diazinan-2-one

(5R,6R)-5-benzoyl-4-methylidene-6-(3-methylphenyl)-1,3-diazinan-2-one (PubChem CID 2369403) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is (5R,6R)-5-benzoyl-4-methylidene-6-(3-methylphenyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name(5R,6R)-5-benzoyl-4-methylidene-6-(3-methylphenyl)-1,3-diazinan-2-one
PubChem CID2369403
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name(5R,6R)-5-benzoyl-4-methylidene-6-(3-methylphenyl)-1,3-diazinan-2-one
SMILESC=C1NC(=O)N[C@@H](c2cccc(C)c2)[C@H]1C(=O)c1ccccc1
InChIInChI=1S/C19H18N2O2/c1-12-7-6-10-15(11-12)17-16(13(2)20-19(23)21-17)18(22)14-8-4-3-5-9-14/h3-11,16-17H,2H2,1H3,(H2,20,21,23)/t16-,17-/m0/s1
InChIKeyCWIXYKHETSRVBG-IRXDYDNUSA-N
XLogP3.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-benzoyl-4-(3-fluorophenyl)-6-methylidene-1,3-diazinan-2-one
CID 4093145
(4S,5R)-5-benzoyl-4-(2,5-dimethylphenyl)-6-methylidene-1,3-diazinan-2-one
CID 2392471
(5R,6S)-5-benzoyl-4-methylidene-6-(3-phenylmethoxyphenyl)-1,3-diazinan-2-one
CID 2427856
(4R,5S)-4-(3-bromophenyl)-5-(4-chlorobenzoyl)-6-methylidene-1,3-diazinan-2-one
CID 2368097
(4S,5R)-5-benzoyl-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-methylidene-1,3-diazinan-2-one
CID 2200788
(5R,6R)-5-benzoyl-4-methylidene-6-[2-(trifluoromethyl)phenyl]-1,3-diazinan-2-one
CID 2392565
(4R)-5-benzoyl-6-methyl-4-(3-methylphenyl)-3,4-dihydro-1H-pyrimidin-2-one
CID 7817242
(5R,6S)-5-(4-chlorobenzoyl)-4-methylidene-6-(2,4,6-trimethylphenyl)-1,3-diazinan-2-one
CID 2392345
[(5R,6S)-4-methylidene-6-(3-nitrophenyl)-2-sulfanylidene-1,3-diazinan-5-yl]-phenylmethanone
CID 2398813
(5S,6S)-N-(3,5-dimethylphenyl)-4-methylidene-6-(3-nitrophenyl)-2-oxo-1,3-diazinane-5-carboxamide
CID 2202631
2-phenylethyl 4-(3-methoxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate
CID 3321046
methyl (4S,5R)-4-(2,4-dimethylphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate
CID 2377256

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-5-benzoyl-4-methylidene-6-(3-methylphenyl)-1,3-diazinan-2-one?
The IUPAC name of (5R,6R)-5-benzoyl-4-methylidene-6-(3-methylphenyl)-1,3-diazinan-2-one (CID 2369403) is (5R,6R)-5-benzoyl-4-methylidene-6-(3-methylphenyl)-1,3-diazinan-2-one.
What is the SMILES notation for (5R,6R)-5-benzoyl-4-methylidene-6-(3-methylphenyl)-1,3-diazinan-2-one?
The canonical SMILES for (5R,6R)-5-benzoyl-4-methylidene-6-(3-methylphenyl)-1,3-diazinan-2-one is C=C1NC(=O)N[C@@H](c2cccc(C)c2)[C@H]1C(=O)c1ccccc1.
What is the InChIKey of (5R,6R)-5-benzoyl-4-methylidene-6-(3-methylphenyl)-1,3-diazinan-2-one?
The InChIKey is CWIXYKHETSRVBG-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-12-7-6-10-15(11-12)17-16(13(2)20-19(23)21-17)18(22)14-8-4-3-5-9-14/h3-11,16-17H,2H2,1H3,(H2,20,21,23)/t16-,17-/m0/s1.
What are the key properties of (5R,6R)-5-benzoyl-4-methylidene-6-(3-methylphenyl)-1,3-diazinan-2-one?
(5R,6R)-5-benzoyl-4-methylidene-6-(3-methylphenyl)-1,3-diazinan-2-one has a molecular weight of 306.37 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-5-benzoyl-4-methylidene-6-(3-methylphenyl)-1,3-diazinan-2-one is sourced from PubChem (CID 2369403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).