actinium;1-phenyl-1,3-diazinane-2,4-dione;propane

C13H16AcN2O2-2 — CID 176713566

IUPACactinium;1-phenyl-1,3-diazinane-2,4-dione;propane
SMILESC[CH-]C.O=C1CCN(c2c[c-]ccc2)C(=O)N1.[Ac]
InChIInChI=1S/C10H9N2O2.C3H7.Ac/c13-9-6-7-12(10(14)11-9)8-4-2-1-3-5-8;1-3-2;/h1-2,4-5H,6-7H2,(H,11,13,14);3H,1-2H3;/q2*-1;
InChIKeyCWVDASHDRBWOLY-UHFFFAOYSA-N
MW459.28 g/mol
LogP2.16
Rot. Bonds1

About actinium;1-phenyl-1,3-diazinane-2,4-dione;propane

actinium;1-phenyl-1,3-diazinane-2,4-dione;propane (PubChem CID 176713566) has the molecular formula C13H16AcN2O2-2 and a molecular weight of 459.28 g/mol. Its IUPAC name is actinium;1-phenyl-1,3-diazinane-2,4-dione;propane.

Molecular Properties

Compound Nameactinium;1-phenyl-1,3-diazinane-2,4-dione;propane
PubChem CID176713566
Molecular FormulaC13H16AcN2O2-2
Molecular Weight459.28 g/mol
Exact Mass459.15
IUPAC Nameactinium;1-phenyl-1,3-diazinane-2,4-dione;propane
SMILESC[CH-]C.O=C1CCN(c2c[c-]ccc2)C(=O)N1.[Ac]
InChIInChI=1S/C10H9N2O2.C3H7.Ac/c13-9-6-7-12(10(14)11-9)8-4-2-1-3-5-8;1-3-2;/h1-2,4-5H,6-7H2,(H,11,13,14);3H,1-2H3;/q2*-1;
InChIKeyCWVDASHDRBWOLY-UHFFFAOYSA-N
XLogP2.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,9a-Dihydropyrido[1,2-a]pyrimidine-2,4-dione
CID 351417
1-[(3Z)-4-fluoropenta-1,3-dien-3-yl]-1,3-diazinane-2,4-dione
CID 144982590
1-(1,2-Dihydro-1-methyl-2-oxo-3-pyridinyl)dihydro-2,4(1H,3H)-pyrimidinedione
CID 155261434
2,3-Dihydro-1H-pyrido[1,2-a]pyrimidin-4(9aH)-one
CID 54218141
1,2,3,6-Tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one
CID 70042605
1,3,4,6-Tetrahydropyrido[1,2-a]pyrimidin-2-one
CID 141008936
2-Methyl-1,2,3,6-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 141088034
1-[(2-Oxo-1-prop-2-enyl-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione
CID 156176688
1-[(1-Methyl-2-oxo-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione
CID 156187731
1-[(2-Oxo-1-propan-2-yl-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione
CID 156193569
Ruthenium(1+);1-(3-sulfanylbenzene-6-id-1-yl)-1,3-diazinane-2,4-dione
CID 156706986
1-[(1-Butan-2-yl-2-oxo-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione;molecular hydrogen
CID 156706992

Frequently Asked Questions

What is the IUPAC name of actinium;1-phenyl-1,3-diazinane-2,4-dione;propane?
The IUPAC name of actinium;1-phenyl-1,3-diazinane-2,4-dione;propane (CID 176713566) is actinium;1-phenyl-1,3-diazinane-2,4-dione;propane.
What is the SMILES notation for actinium;1-phenyl-1,3-diazinane-2,4-dione;propane?
The canonical SMILES for actinium;1-phenyl-1,3-diazinane-2,4-dione;propane is C[CH-]C.O=C1CCN(c2c[c-]ccc2)C(=O)N1.[Ac].
What is the InChIKey of actinium;1-phenyl-1,3-diazinane-2,4-dione;propane?
The InChIKey is CWVDASHDRBWOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N2O2.C3H7.Ac/c13-9-6-7-12(10(14)11-9)8-4-2-1-3-5-8;1-3-2;/h1-2,4-5H,6-7H2,(H,11,13,14);3H,1-2H3;/q2*-1;.
What are the key properties of actinium;1-phenyl-1,3-diazinane-2,4-dione;propane?
actinium;1-phenyl-1,3-diazinane-2,4-dione;propane has a molecular weight of 459.28 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;1-phenyl-1,3-diazinane-2,4-dione;propane is sourced from PubChem (CID 176713566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).