(4R,6S)-4-ethenyl-6-phenyl-1,3-diazinan-2-one

C12H14N2O — CID 102050602

IUPAC(4R,6S)-4-ethenyl-6-phenyl-1,3-diazinan-2-one
SMILESC=C[C@H]1C[C@@H](c2ccccc2)NC(=O)N1
InChIInChI=1S/C12H14N2O/c1-2-10-8-11(14-12(15)13-10)9-6-4-3-5-7-9/h2-7,10-11H,1,8H2,(H2,13,14,15)/t10-,11-/m0/s1
InChIKeyDDQATCTWWVAMHJ-QWRGUYRKSA-N
MW202.26 g/mol
LogP1.99
Rot. Bonds2

About (4R,6S)-4-ethenyl-6-phenyl-1,3-diazinan-2-one

(4R,6S)-4-ethenyl-6-phenyl-1,3-diazinan-2-one (PubChem CID 102050602) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is (4R,6S)-4-ethenyl-6-phenyl-1,3-diazinan-2-one.

Molecular Properties

Compound Name(4R,6S)-4-ethenyl-6-phenyl-1,3-diazinan-2-one
PubChem CID102050602
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name(4R,6S)-4-ethenyl-6-phenyl-1,3-diazinan-2-one
SMILESC=C[C@H]1C[C@@H](c2ccccc2)NC(=O)N1
InChIInChI=1S/C12H14N2O/c1-2-10-8-11(14-12(15)13-10)9-6-4-3-5-7-9/h2-7,10-11H,1,8H2,(H2,13,14,15)/t10-,11-/m0/s1
InChIKeyDDQATCTWWVAMHJ-QWRGUYRKSA-N
XLogP1.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Urea, N,N'-bis(phenylmethyl)-
CID 72889
Urea, N,N''-1,6-hexanediylbis[N'-(phenylmethyl)-
CID 2818389
N-Cyclohexyl-N'-(Propyl)Phenyl Urea
CID 4358
6-Phenyl-1,3-diazinane-2,4-dione
CID 239233
Benzylurea
CID 10853
Phenethylurea
CID 75089
N,N'-Bis(2-phenylethyl)urea
CID 95244
N-benzylpiperazine-1-carboxamide hydrochloride
CID 17400262
1-Benzyl-3-cyclohexylurea
CID 544877
4-benzhydryl-N-butylpiperazine-1-carboxamide
CID 2809754
(2S)-4-(2,5-difluorophenyl)-N-methyl-2-phenyl-N-(piperidin-4-yl)-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 11675645
1-Cyclohexyl-3-(2-phenylethyl)urea
CID 742677

Frequently Asked Questions

What is the IUPAC name of (4R,6S)-4-ethenyl-6-phenyl-1,3-diazinan-2-one?
The IUPAC name of (4R,6S)-4-ethenyl-6-phenyl-1,3-diazinan-2-one (CID 102050602) is (4R,6S)-4-ethenyl-6-phenyl-1,3-diazinan-2-one.
What is the SMILES notation for (4R,6S)-4-ethenyl-6-phenyl-1,3-diazinan-2-one?
The canonical SMILES for (4R,6S)-4-ethenyl-6-phenyl-1,3-diazinan-2-one is C=C[C@H]1C[C@@H](c2ccccc2)NC(=O)N1.
What is the InChIKey of (4R,6S)-4-ethenyl-6-phenyl-1,3-diazinan-2-one?
The InChIKey is DDQATCTWWVAMHJ-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H14N2O/c1-2-10-8-11(14-12(15)13-10)9-6-4-3-5-7-9/h2-7,10-11H,1,8H2,(H2,13,14,15)/t10-,11-/m0/s1.
What are the key properties of (4R,6S)-4-ethenyl-6-phenyl-1,3-diazinan-2-one?
(4R,6S)-4-ethenyl-6-phenyl-1,3-diazinan-2-one has a molecular weight of 202.26 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-4-ethenyl-6-phenyl-1,3-diazinan-2-one is sourced from PubChem (CID 102050602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).