isocyanic acid;methane;propane

C6H14N2O2 — CID 174983987

IUPACisocyanic acid;methane;propane
SMILESC.CCC.N=C=O.N=C=O
InChIInChI=1S/C3H8.2CHNO.CH4/c1-3-2;2*2-1-3;/h3H2,1-2H3;2*2H;1H4
InChIKeyXYPYAVDJTIFGCP-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.85
Rot. Bonds

About isocyanic acid;methane;propane

isocyanic acid;methane;propane (PubChem CID 174983987) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is isocyanic acid;methane;propane.

Molecular Properties

Compound Nameisocyanic acid;methane;propane
PubChem CID174983987
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Nameisocyanic acid;methane;propane
SMILESC.CCC.N=C=O.N=C=O
InChIInChI=1S/C3H8.2CHNO.CH4/c1-3-2;2*2-1-3;/h3H2,1-2H3;2*2H;1H4
InChIKeyXYPYAVDJTIFGCP-UHFFFAOYSA-N
XLogP1.85
TPSA81.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzene;isocyanic acid;propane
CID 174890034
cyclohexane;isocyanic acid;propane
CID 173088956
isocyanic acid;methane
CID 173240059
butane;ethane;isocyanic acid
CID 175178457
isocyanic acid;methane;3-methylpentane
CID 174793892
ethanol;isocyanic acid;silane
CID 173153044
isocyanic acid;methane;hexahydrofluoride
CID 173057385
dichloromethane;isocyanic acid;methane
CID 172756177
isocyanic acid;propylsilane
CID 172805937
icosane;isocyanic acid
CID 87494642
isocyanic acid;propan-1-ol
CID 87862786
heptane;isocyanic acid
CID 87075966

Frequently Asked Questions

What is the IUPAC name of isocyanic acid;methane;propane?
The IUPAC name of isocyanic acid;methane;propane (CID 174983987) is isocyanic acid;methane;propane.
What is the SMILES notation for isocyanic acid;methane;propane?
The canonical SMILES for isocyanic acid;methane;propane is C.CCC.N=C=O.N=C=O.
What is the InChIKey of isocyanic acid;methane;propane?
The InChIKey is XYPYAVDJTIFGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8.2CHNO.CH4/c1-3-2;2*2-1-3;/h3H2,1-2H3;2*2H;1H4.
What are the key properties of isocyanic acid;methane;propane?
isocyanic acid;methane;propane has a molecular weight of 146.19 g/mol, XLogP of 1.85, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for isocyanic acid;methane;propane is sourced from PubChem (CID 174983987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).