deuterioethane;deuterioimino(oxo)methane

C3H7NO — CID 91422678

IUPACdeuterioethane;deuterioimino(oxo)methane
SMILES[2H]CC.[2H]N=C=O
InChIInChI=1S/C2H6.CHNO/c1-2;2-1-3/h1-2H3;2H/i1D;/hD
InChIKeyCHGFQXWEMFIZRC-PCZGDHRCSA-N
MW75.11 g/mol
LogP0.93
Rot. Bonds

About deuterioethane;deuterioimino(oxo)methane

deuterioethane;deuterioimino(oxo)methane (PubChem CID 91422678) has the molecular formula C3H7NO and a molecular weight of 75.11 g/mol. Its IUPAC name is deuterioethane;deuterioimino(oxo)methane.

Molecular Properties

Compound Namedeuterioethane;deuterioimino(oxo)methane
PubChem CID91422678
Molecular FormulaC3H7NO
Molecular Weight75.11 g/mol
Exact Mass75.07
IUPAC Namedeuterioethane;deuterioimino(oxo)methane
SMILES[2H]CC.[2H]N=C=O
InChIInChI=1S/C2H6.CHNO/c1-2;2-1-3/h1-2H3;2H/i1D;/hD
InChIKeyCHGFQXWEMFIZRC-PCZGDHRCSA-N
XLogP0.93
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50075.11
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 deuterioethane;deuterioimino(oxo)methane?
The IUPAC name of deuterioethane;deuterioimino(oxo)methane (CID 91422678) is deuterioethane;deuterioimino(oxo)methane.
What is the SMILES notation for deuterioethane;deuterioimino(oxo)methane?
The canonical SMILES for deuterioethane;deuterioimino(oxo)methane is [2H]CC.[2H]N=C=O.
What is the InChIKey of deuterioethane;deuterioimino(oxo)methane?
The InChIKey is CHGFQXWEMFIZRC-PCZGDHRCSA-N. The full InChI is InChI=1S/C2H6.CHNO/c1-2;2-1-3/h1-2H3;2H/i1D;/hD.
What are the key properties of deuterioethane;deuterioimino(oxo)methane?
deuterioethane;deuterioimino(oxo)methane has a molecular weight of 75.11 g/mol, XLogP of 0.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for deuterioethane;deuterioimino(oxo)methane is sourced from PubChem (CID 91422678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).