CID 158976766

C3H9BNOY-2 — CID 158976766

IUPAC—
SMILESC.N[C-]=O.[B].[CH3-].[Y]
InChIInChI=1S/CH2NO.CH4.CH3.B.Y/c2-1-3;;;;/h(H2,2,3);1H4;1H3;;/q-1;;-1;;
InChIKeyXWXZIMVUVVYTLZ-UHFFFAOYSA-N
MW174.83 g/mol
LogP-0.28
Rot. Bonds

About CID 158976766

CID 158976766 (PubChem CID 158976766) has the molecular formula C3H9BNOY-2 and a molecular weight of 174.83 g/mol.

Molecular Properties

Compound NameCID 158976766
PubChem CID158976766
Molecular FormulaC3H9BNOY-2
Molecular Weight174.83 g/mol
Exact Mass174.98
IUPAC Name—
SMILESC.N[C-]=O.[B].[CH3-].[Y]
InChIInChI=1S/CH2NO.CH4.CH3.B.Y/c2-1-3;;;;/h(H2,2,3);1H4;1H3;;/q-1;;-1;;
InChIKeyXWXZIMVUVVYTLZ-UHFFFAOYSA-N
XLogP-0.28
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.83
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

potassium;aminomethanone;methanamine
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carbanide;methanamine;methane;tungsten;yttrium
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methane;oxomethylazanium
CID 158914612
carbanide;ethanone;bis(yttrium);cyanide
CID 161178095
carbanide;methane;rubidium(1+);yttrium
CID 158993352
carbanide;methane;tungsten;yttrium
CID 158162733
CID 157281307
CID 157281307
carbanide;hydroperoxymethanone;tungsten(2+);yttrium
CID 59709076
methane;yttrium
CID 158238152
carbanide;octadecakis(yttrium)
CID 58849650
copper(1+);hydroxymethanone;methane
CID 174882093

Frequently Asked Questions

What is the IUPAC name of CID 158976766?
The IUPAC name of CID 158976766 (CID 158976766) is not available.
What is the SMILES notation for CID 158976766?
The canonical SMILES for CID 158976766 is C.N[C-]=O.[B].[CH3-].[Y].
What is the InChIKey of CID 158976766?
The InChIKey is XWXZIMVUVVYTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2NO.CH4.CH3.B.Y/c2-1-3;;;;/h(H2,2,3);1H4;1H3;;/q-1;;-1;;.
What are the key properties of CID 158976766?
CID 158976766 has a molecular weight of 174.83 g/mol, XLogP of -0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158976766 is sourced from PubChem (CID 158976766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).