(5R)-1-cyclohexyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione

C13H18N2O3 — CID 122172950

IUPAC(5R)-1-cyclohexyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
SMILESC=CC[C@@H]1C(=O)NC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C13H18N2O3/c1-2-6-10-11(16)14-13(18)15(12(10)17)9-7-4-3-5-8-9/h2,9-10H,1,3-8H2,(H,14,16,18)/t10-/m1/s1
InChIKeySVSSSJKOKJHAFF-SNVBAGLBSA-N
MW250.30 g/mol
LogP1.59
Rot. Bonds3

About (5R)-1-cyclohexyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione

(5R)-1-cyclohexyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione (PubChem CID 122172950) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is (5R)-1-cyclohexyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name(5R)-1-cyclohexyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
PubChem CID122172950
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name(5R)-1-cyclohexyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
SMILESC=CC[C@@H]1C(=O)NC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C13H18N2O3/c1-2-6-10-11(16)14-13(18)15(12(10)17)9-7-4-3-5-8-9/h2,9-10H,1,3-8H2,(H,14,16,18)/t10-/m1/s1
InChIKeySVSSSJKOKJHAFF-SNVBAGLBSA-N
XLogP1.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Cyclohexyl-5-ethylbarbituric acid
CID 13276
3-Cyclohexyl-6-hydroxy-5-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dione
CID 13460
Barbituric acid, 5-allyl-1,3-dicyclohexyl-
CID 12936
Urea, 1-(2-allyl-4-pentenoyl)-3-cyclohexyl-
CID 218418
N,5-Diallylbarbituric acid
CID 3026948
1-Cyclohexyl-5-(1-piperidinylmethyl)-5-(2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 155740
1-Hex-5-enyl-5-methyl-1,3-diazinane-2,4,6-trione
CID 20447291
1-(4-Methylpent-1-en-3-yl)-1,3-diazinane-2,4,6-trione
CID 23616251
1-Cyclohexyl-5-ethyl-1,3-diazinane-2,4,6-trione;propane
CID 67827634
1-Pentyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 89396634
5-Ethenyl-1-pentan-2-yl-1,3-diazinane-2,4,6-trione
CID 89614900
1-Cyclopentyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione
CID 141165816

Frequently Asked Questions

What is the IUPAC name of (5R)-1-cyclohexyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of (5R)-1-cyclohexyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione (CID 122172950) is (5R)-1-cyclohexyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for (5R)-1-cyclohexyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for (5R)-1-cyclohexyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione is C=CC[C@@H]1C(=O)NC(=O)N(C2CCCCC2)C1=O.
What is the InChIKey of (5R)-1-cyclohexyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The InChIKey is SVSSSJKOKJHAFF-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-2-6-10-11(16)14-13(18)15(12(10)17)9-7-4-3-5-8-9/h2,9-10H,1,3-8H2,(H,14,16,18)/t10-/m1/s1.
What are the key properties of (5R)-1-cyclohexyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione?
(5R)-1-cyclohexyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione has a molecular weight of 250.30 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-cyclohexyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 122172950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).