CID 159040973

C6H14B2N2O2 — CID 159040973

IUPAC—
SMILESCNC(C)=O.CNC(C)=O.[B].[B]
InChIInChI=1S/2C3H7NO.2B/c2*1-3(5)4-2;;/h2*1-2H3,(H,4,5);;
InChIKeyYNWICMFZFRZNAI-UHFFFAOYSA-N
MW167.81 g/mol
LogP-1.26
Rot. Bonds

About CID 159040973

CID 159040973 (PubChem CID 159040973) has the molecular formula C6H14B2N2O2 and a molecular weight of 167.81 g/mol.

Molecular Properties

Compound NameCID 159040973
PubChem CID159040973
Molecular FormulaC6H14B2N2O2
Molecular Weight167.81 g/mol
Exact Mass168.12
IUPAC Name—
SMILESCNC(C)=O.CNC(C)=O.[B].[B]
InChIInChI=1S/2C3H7NO.2B/c2*1-3(5)4-2;;/h2*1-2H3,(H,4,5);;
InChIKeyYNWICMFZFRZNAI-UHFFFAOYSA-N
XLogP-1.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.81
LogP ≤ 5-1.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 157204854
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N-methylacetamide;pentane-2,4-dione;bis(propan-2-one)
CID 91069648
N-methylacetamide;propan-2-ylazanium
CID 158450921
N-methylacetamide;1-(methylamino)ethanol
CID 159501218
methanamine;N-methylacetamide;molecular iodine;propan-2-one;vanadium
CID 160843944
methane;tris(N-methylacetamide);N-methylformamide
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Frequently Asked Questions

What is the IUPAC name of CID 159040973?
The IUPAC name of CID 159040973 (CID 159040973) is not available.
What is the SMILES notation for CID 159040973?
The canonical SMILES for CID 159040973 is CNC(C)=O.CNC(C)=O.[B].[B].
What is the InChIKey of CID 159040973?
The InChIKey is YNWICMFZFRZNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H7NO.2B/c2*1-3(5)4-2;;/h2*1-2H3,(H,4,5);;.
What are the key properties of CID 159040973?
CID 159040973 has a molecular weight of 167.81 g/mol, XLogP of -1.26, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159040973 is sourced from PubChem (CID 159040973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).