carbanide;methane;yttrium;isocyanate

C3H7NOY-2 — CID 161267637

IUPACcarbanide;methane;yttrium;isocyanate
SMILESC.[CH3-].[N-]=C=O.[Y]
InChIInChI=1S/CNO.CH4.CH3.Y/c2-1-3;;;/h;1H4;1H3;/q-1;;-1;
InChIKeyAUEXFWOPXVBPQR-UHFFFAOYSA-N
MW162.00 g/mol
LogP0.98
Rot. Bonds

About carbanide;methane;yttrium;isocyanate

carbanide;methane;yttrium;isocyanate (PubChem CID 161267637) has the molecular formula C3H7NOY-2 and a molecular weight of 162.00 g/mol. Its IUPAC name is carbanide;methane;yttrium;isocyanate.

Molecular Properties

Compound Namecarbanide;methane;yttrium;isocyanate
PubChem CID161267637
Molecular FormulaC3H7NOY-2
Molecular Weight162.00 g/mol
Exact Mass161.96
IUPAC Namecarbanide;methane;yttrium;isocyanate
SMILESC.[CH3-].[N-]=C=O.[Y]
InChIInChI=1S/CNO.CH4.CH3.Y/c2-1-3;;;/h;1H4;1H3;/q-1;;-1;
InChIKeyAUEXFWOPXVBPQR-UHFFFAOYSA-N
XLogP0.98
TPSA39.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.00
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;methane;yttrium;isocyanate?
The IUPAC name of carbanide;methane;yttrium;isocyanate (CID 161267637) is carbanide;methane;yttrium;isocyanate.
What is the SMILES notation for carbanide;methane;yttrium;isocyanate?
The canonical SMILES for carbanide;methane;yttrium;isocyanate is C.[CH3-].[N-]=C=O.[Y].
What is the InChIKey of carbanide;methane;yttrium;isocyanate?
The InChIKey is AUEXFWOPXVBPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/CNO.CH4.CH3.Y/c2-1-3;;;/h;1H4;1H3;/q-1;;-1;.
What are the key properties of carbanide;methane;yttrium;isocyanate?
carbanide;methane;yttrium;isocyanate has a molecular weight of 162.00 g/mol, XLogP of 0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;methane;yttrium;isocyanate is sourced from PubChem (CID 161267637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).