isocyanatomethoxymethanone;methylidenechromium

C4H4CrNO3- — CID 173493670

IUPACisocyanatomethoxymethanone;methylidenechromium
SMILESC=[Cr].O=C=NCO[C-]=O
InChIInChI=1S/C3H2NO3.CH2.Cr/c5-1-4-2-7-3-6;;/h2H2;1H2;/q-1;;
InChIKeyBNUIZFMAIGDGML-UHFFFAOYSA-N
MW166.08 g/mol
LogP-0.67
Rot. Bonds3

About isocyanatomethoxymethanone;methylidenechromium

isocyanatomethoxymethanone;methylidenechromium (PubChem CID 173493670) has the molecular formula C4H4CrNO3- and a molecular weight of 166.08 g/mol. Its IUPAC name is isocyanatomethoxymethanone;methylidenechromium.

Molecular Properties

Compound Nameisocyanatomethoxymethanone;methylidenechromium
PubChem CID173493670
Molecular FormulaC4H4CrNO3-
Molecular Weight166.08 g/mol
Exact Mass165.96
IUPAC Nameisocyanatomethoxymethanone;methylidenechromium
SMILESC=[Cr].O=C=NCO[C-]=O
InChIInChI=1S/C3H2NO3.CH2.Cr/c5-1-4-2-7-3-6;;/h2H2;1H2;/q-1;;
InChIKeyBNUIZFMAIGDGML-UHFFFAOYSA-N
XLogP-0.67
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.08
LogP ≤ 5-0.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 isocyanatomethoxymethanone;methylidenechromium?
The IUPAC name of isocyanatomethoxymethanone;methylidenechromium (CID 173493670) is isocyanatomethoxymethanone;methylidenechromium.
What is the SMILES notation for isocyanatomethoxymethanone;methylidenechromium?
The canonical SMILES for isocyanatomethoxymethanone;methylidenechromium is C=[Cr].O=C=NCO[C-]=O.
What is the InChIKey of isocyanatomethoxymethanone;methylidenechromium?
The InChIKey is BNUIZFMAIGDGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2NO3.CH2.Cr/c5-1-4-2-7-3-6;;/h2H2;1H2;/q-1;;.
What are the key properties of isocyanatomethoxymethanone;methylidenechromium?
isocyanatomethoxymethanone;methylidenechromium has a molecular weight of 166.08 g/mol, XLogP of -0.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for isocyanatomethoxymethanone;methylidenechromium is sourced from PubChem (CID 173493670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).