carbon dioxide;1-diazopropane;methane

C5H10N2O2 — CID 160799033

IUPACcarbon dioxide;1-diazopropane;methane
SMILESC.CCC=[N+]=[N-].O=C=O
InChIInChI=1S/C3H6N2.CO2.CH4/c1-2-3-5-4;2-1-3;/h3H,2H2,1H3;;1H4
InChIKeySCUWZZBMUKXWKA-UHFFFAOYSA-N
MW130.15 g/mol
LogP0.75
Rot. Bonds1

About carbon dioxide;1-diazopropane;methane

carbon dioxide;1-diazopropane;methane (PubChem CID 160799033) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is carbon dioxide;1-diazopropane;methane.

Molecular Properties

Compound Namecarbon dioxide;1-diazopropane;methane
PubChem CID160799033
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC Namecarbon dioxide;1-diazopropane;methane
SMILESC.CCC=[N+]=[N-].O=C=O
InChIInChI=1S/C3H6N2.CO2.CH4/c1-2-3-5-4;2-1-3;/h3H,2H2,1H3;;1H4
InChIKeySCUWZZBMUKXWKA-UHFFFAOYSA-N
XLogP0.75
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze carbon dioxide;1-diazopropane;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

di(propylidene)azanium
CID 19699475
carbon dioxide;hex-3-ene;hydrate
CID 175552917
azane;carbon dioxide;propane
CID 87743073
carbon dioxide;2-methylpent-2-ene
CID 174340897
carbon dioxide;methane
CID 157336071
methane;propanal
CID 159115270
argon;azane;carbon dioxide;nitrous oxide
CID 174833718
isocyanic acid;methane;propane
CID 174983987
azane;carbon dioxide;ethanol
CID 87375143
butanal;carbon dioxide
CID 91446908
carbon dioxide;methane;ruthenium
CID 158599748
carbon dioxide;N,N-dimethylethanamine
CID 158904946

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;1-diazopropane;methane?
The IUPAC name of carbon dioxide;1-diazopropane;methane (CID 160799033) is carbon dioxide;1-diazopropane;methane.
What is the SMILES notation for carbon dioxide;1-diazopropane;methane?
The canonical SMILES for carbon dioxide;1-diazopropane;methane is C.CCC=[N+]=[N-].O=C=O.
What is the InChIKey of carbon dioxide;1-diazopropane;methane?
The InChIKey is SCUWZZBMUKXWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2.CO2.CH4/c1-2-3-5-4;2-1-3;/h3H,2H2,1H3;;1H4.
What are the key properties of carbon dioxide;1-diazopropane;methane?
carbon dioxide;1-diazopropane;methane has a molecular weight of 130.15 g/mol, XLogP of 0.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;1-diazopropane;methane is sourced from PubChem (CID 160799033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).