[4-(azanidylmethyl)oxan-4-yl]methylazanide;cyclobutane-1,1-dicarboxylate;platinum(4+)

C13H20N2O5Pt — CID 56840924

IUPAC[4-(azanidylmethyl)oxan-4-yl]methylazanide;cyclobutane-1,1-dicarboxylate;platinum(4+)
SMILESO=C([O-])C1(C(=O)[O-])CCC1.[NH-]CC1(C[NH-])CCOCC1.[Pt+4]
InChIInChI=1S/C7H14N2O.C6H8O4.Pt/c8-5-7(6-9)1-3-10-4-2-7;7-4(8)6(5(9)10)2-1-3-6;/h8-9H,1-6H2;1-3H2,(H,7,8)(H,9,10);/q-2;;+4/p-2
InChIKeyNAFFDQVVNWTDJD-UHFFFAOYSA-L
MW479.39 g/mol
LogP-0.46
Rot. Bonds4

About [4-(azanidylmethyl)oxan-4-yl]methylazanide;cyclobutane-1,1-dicarboxylate;platinum(4+)

[4-(azanidylmethyl)oxan-4-yl]methylazanide;cyclobutane-1,1-dicarboxylate;platinum(4+) (PubChem CID 56840924) has the molecular formula C13H20N2O5Pt and a molecular weight of 479.39 g/mol. Its IUPAC name is [4-(azanidylmethyl)oxan-4-yl]methylazanide;cyclobutane-1,1-dicarboxylate;platinum(4+).

Molecular Properties

Compound Name[4-(azanidylmethyl)oxan-4-yl]methylazanide;cyclobutane-1,1-dicarboxylate;platinum(4+)
PubChem CID56840924
Molecular FormulaC13H20N2O5Pt
Molecular Weight479.39 g/mol
Exact Mass479.10
IUPAC Name[4-(azanidylmethyl)oxan-4-yl]methylazanide;cyclobutane-1,1-dicarboxylate;platinum(4+)
SMILESO=C([O-])C1(C(=O)[O-])CCC1.[NH-]CC1(C[NH-])CCOCC1.[Pt+4]
InChIInChI=1S/C7H14N2O.C6H8O4.Pt/c8-5-7(6-9)1-3-10-4-2-7;7-4(8)6(5(9)10)2-1-3-6;/h8-9H,1-6H2;1-3H2,(H,7,8)(H,9,10);/q-2;;+4/p-2
InChIKeyNAFFDQVVNWTDJD-UHFFFAOYSA-L
XLogP-0.46
TPSA137.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.39
LogP ≤ 5-0.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(azanidylmethyl)oxan-4-yl]methylazanide;cyclobutane-1,1-dicarboxylate;platinum(4+)?
The IUPAC name of [4-(azanidylmethyl)oxan-4-yl]methylazanide;cyclobutane-1,1-dicarboxylate;platinum(4+) (CID 56840924) is [4-(azanidylmethyl)oxan-4-yl]methylazanide;cyclobutane-1,1-dicarboxylate;platinum(4+).
What is the SMILES notation for [4-(azanidylmethyl)oxan-4-yl]methylazanide;cyclobutane-1,1-dicarboxylate;platinum(4+)?
The canonical SMILES for [4-(azanidylmethyl)oxan-4-yl]methylazanide;cyclobutane-1,1-dicarboxylate;platinum(4+) is O=C([O-])C1(C(=O)[O-])CCC1.[NH-]CC1(C[NH-])CCOCC1.[Pt+4].
What is the InChIKey of [4-(azanidylmethyl)oxan-4-yl]methylazanide;cyclobutane-1,1-dicarboxylate;platinum(4+)?
The InChIKey is NAFFDQVVNWTDJD-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H14N2O.C6H8O4.Pt/c8-5-7(6-9)1-3-10-4-2-7;7-4(8)6(5(9)10)2-1-3-6;/h8-9H,1-6H2;1-3H2,(H,7,8)(H,9,10);/q-2;;+4/p-2.
What are the key properties of [4-(azanidylmethyl)oxan-4-yl]methylazanide;cyclobutane-1,1-dicarboxylate;platinum(4+)?
[4-(azanidylmethyl)oxan-4-yl]methylazanide;cyclobutane-1,1-dicarboxylate;platinum(4+) has a molecular weight of 479.39 g/mol, XLogP of -0.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(azanidylmethyl)oxan-4-yl]methylazanide;cyclobutane-1,1-dicarboxylate;platinum(4+) is sourced from PubChem (CID 56840924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).