(6-methoxycarbonyl-3-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-4-yl)azanide;tungsten(2+)

C11H17N2O3W+ — CID 20593562

IUPAC(6-methoxycarbonyl-3-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-4-yl)azanide;tungsten(2+)
SMILESCOC(=O)C1CC([NH-])C2C(C(C)C)=NOC12.[W+2]
InChIInChI=1S/C11H17N2O3.W/c1-5(2)9-8-7(12)4-6(11(14)15-3)10(8)16-13-9;/h5-8,10,12H,4H2,1-3H3;/q-1;+2
InChIKeyKWRYXPBMAPODFM-UHFFFAOYSA-N
MW409.11 g/mol
LogP1.62
Rot. Bonds2

About (6-methoxycarbonyl-3-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-4-yl)azanide;tungsten(2+)

(6-methoxycarbonyl-3-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-4-yl)azanide;tungsten(2+) (PubChem CID 20593562) has the molecular formula C11H17N2O3W+ and a molecular weight of 409.11 g/mol. Its IUPAC name is (6-methoxycarbonyl-3-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-4-yl)azanide;tungsten(2+).

Molecular Properties

Compound Name(6-methoxycarbonyl-3-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-4-yl)azanide;tungsten(2+)
PubChem CID20593562
Molecular FormulaC11H17N2O3W+
Molecular Weight409.11 g/mol
Exact Mass409.07
IUPAC Name(6-methoxycarbonyl-3-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-4-yl)azanide;tungsten(2+)
SMILESCOC(=O)C1CC([NH-])C2C(C(C)C)=NOC12.[W+2]
InChIInChI=1S/C11H17N2O3.W/c1-5(2)9-8-7(12)4-6(11(14)15-3)10(8)16-13-9;/h5-8,10,12H,4H2,1-3H3;/q-1;+2
InChIKeyKWRYXPBMAPODFM-UHFFFAOYSA-N
XLogP1.62
TPSA71.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.11
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-methoxycarbonyl-3-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-4-yl)azanide;tungsten(2+)?
The IUPAC name of (6-methoxycarbonyl-3-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-4-yl)azanide;tungsten(2+) (CID 20593562) is (6-methoxycarbonyl-3-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-4-yl)azanide;tungsten(2+).
What is the SMILES notation for (6-methoxycarbonyl-3-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-4-yl)azanide;tungsten(2+)?
The canonical SMILES for (6-methoxycarbonyl-3-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-4-yl)azanide;tungsten(2+) is COC(=O)C1CC([NH-])C2C(C(C)C)=NOC12.[W+2].
What is the InChIKey of (6-methoxycarbonyl-3-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-4-yl)azanide;tungsten(2+)?
The InChIKey is KWRYXPBMAPODFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N2O3.W/c1-5(2)9-8-7(12)4-6(11(14)15-3)10(8)16-13-9;/h5-8,10,12H,4H2,1-3H3;/q-1;+2.
What are the key properties of (6-methoxycarbonyl-3-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-4-yl)azanide;tungsten(2+)?
(6-methoxycarbonyl-3-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-4-yl)azanide;tungsten(2+) has a molecular weight of 409.11 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxycarbonyl-3-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-4-yl)azanide;tungsten(2+) is sourced from PubChem (CID 20593562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).