azane;carbon dioxide;propane

C4H11NO2 — CID 87743073

IUPACazane;carbon dioxide;propane
SMILESCCC.N.O=C=O
InChIInChI=1S/C3H8.CO2.H3N/c1-3-2;2-1-3;/h3H2,1-2H3;;1H3
InChIKeyRBFNPLLPUIIDQF-UHFFFAOYSA-N
MW105.14 g/mol
LogP0.99
Rot. Bonds

About azane;carbon dioxide;propane

azane;carbon dioxide;propane (PubChem CID 87743073) has the molecular formula C4H11NO2 and a molecular weight of 105.14 g/mol. Its IUPAC name is azane;carbon dioxide;propane.

Molecular Properties

Compound Nameazane;carbon dioxide;propane
PubChem CID87743073
Molecular FormulaC4H11NO2
Molecular Weight105.14 g/mol
Exact Mass105.08
IUPAC Nameazane;carbon dioxide;propane
SMILESCCC.N.O=C=O
InChIInChI=1S/C3H8.CO2.H3N/c1-3-2;2-1-3;/h3H2,1-2H3;;1H3
InChIKeyRBFNPLLPUIIDQF-UHFFFAOYSA-N
XLogP0.99
TPSA69.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.14
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azane;carbon dioxide;propane?
The IUPAC name of azane;carbon dioxide;propane (CID 87743073) is azane;carbon dioxide;propane.
What is the SMILES notation for azane;carbon dioxide;propane?
The canonical SMILES for azane;carbon dioxide;propane is CCC.N.O=C=O.
What is the InChIKey of azane;carbon dioxide;propane?
The InChIKey is RBFNPLLPUIIDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8.CO2.H3N/c1-3-2;2-1-3;/h3H2,1-2H3;;1H3.
What are the key properties of azane;carbon dioxide;propane?
azane;carbon dioxide;propane has a molecular weight of 105.14 g/mol, XLogP of 0.99, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;carbon dioxide;propane is sourced from PubChem (CID 87743073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).