[(methoxycarbonylamino)methyliminomethylideneamino]methylcarbamic acid;yttrium

C6H10N4O4Y — CID 58120558

IUPAC[(methoxycarbonylamino)methyliminomethylideneamino]methylcarbamic acid;yttrium
SMILESCOC(=O)NCN=C=NCNC(=O)O.[Y]
InChIInChI=1S/C6H10N4O4.Y/c1-14-6(13)10-4-8-2-7-3-9-5(11)12;/h9H,3-4H2,1H3,(H,10,13)(H,11,12);
InChIKeyORSONQSKYZYKBE-UHFFFAOYSA-N
MW291.08 g/mol
LogP-0.30
Rot. Bonds4

About [(methoxycarbonylamino)methyliminomethylideneamino]methylcarbamic acid;yttrium

[(methoxycarbonylamino)methyliminomethylideneamino]methylcarbamic acid;yttrium (PubChem CID 58120558) has the molecular formula C6H10N4O4Y and a molecular weight of 291.08 g/mol. Its IUPAC name is [(methoxycarbonylamino)methyliminomethylideneamino]methylcarbamic acid;yttrium.

Molecular Properties

Compound Name[(methoxycarbonylamino)methyliminomethylideneamino]methylcarbamic acid;yttrium
PubChem CID58120558
Molecular FormulaC6H10N4O4Y
Molecular Weight291.08 g/mol
Exact Mass290.98
IUPAC Name[(methoxycarbonylamino)methyliminomethylideneamino]methylcarbamic acid;yttrium
SMILESCOC(=O)NCN=C=NCNC(=O)O.[Y]
InChIInChI=1S/C6H10N4O4.Y/c1-14-6(13)10-4-8-2-7-3-9-5(11)12;/h9H,3-4H2,1H3,(H,10,13)(H,11,12);
InChIKeyORSONQSKYZYKBE-UHFFFAOYSA-N
XLogP-0.30
TPSA112.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.08
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(methoxycarbonylamino)methyliminomethylideneamino]methylcarbamic acid;yttrium?
The IUPAC name of [(methoxycarbonylamino)methyliminomethylideneamino]methylcarbamic acid;yttrium (CID 58120558) is [(methoxycarbonylamino)methyliminomethylideneamino]methylcarbamic acid;yttrium.
What is the SMILES notation for [(methoxycarbonylamino)methyliminomethylideneamino]methylcarbamic acid;yttrium?
The canonical SMILES for [(methoxycarbonylamino)methyliminomethylideneamino]methylcarbamic acid;yttrium is COC(=O)NCN=C=NCNC(=O)O.[Y].
What is the InChIKey of [(methoxycarbonylamino)methyliminomethylideneamino]methylcarbamic acid;yttrium?
The InChIKey is ORSONQSKYZYKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O4.Y/c1-14-6(13)10-4-8-2-7-3-9-5(11)12;/h9H,3-4H2,1H3,(H,10,13)(H,11,12);.
What are the key properties of [(methoxycarbonylamino)methyliminomethylideneamino]methylcarbamic acid;yttrium?
[(methoxycarbonylamino)methyliminomethylideneamino]methylcarbamic acid;yttrium has a molecular weight of 291.08 g/mol, XLogP of -0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(methoxycarbonylamino)methyliminomethylideneamino]methylcarbamic acid;yttrium is sourced from PubChem (CID 58120558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).