methane;oxalonitrile;prop-1-ene

C6H10N2 — CID 174445104

IUPACmethane;oxalonitrile;prop-1-ene
SMILESC.C=CC.N#CC#N
InChIInChI=1S/C3H6.C2N2.CH4/c1-3-2;3-1-2-4;/h3H,1H2,2H3;;1H4
InChIKeyPDZHMFWIORBWQG-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.86
Rot. Bonds

About methane;oxalonitrile;prop-1-ene

methane;oxalonitrile;prop-1-ene (PubChem CID 174445104) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is methane;oxalonitrile;prop-1-ene.

Molecular Properties

Compound Namemethane;oxalonitrile;prop-1-ene
PubChem CID174445104
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Namemethane;oxalonitrile;prop-1-ene
SMILESC.C=CC.N#CC#N
InChIInChI=1S/C3H6.C2N2.CH4/c1-3-2;3-1-2-4;/h3H,1H2,2H3;;1H4
InChIKeyPDZHMFWIORBWQG-UHFFFAOYSA-N
XLogP1.86
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(prop-1-ene);hydrate
CID 21257591
methane;prop-1-ene;sulfane
CID 20979358
ethane;methane;bis(prop-1-ene)
CID 159459488
prop-1-ene
CID 162178440
methanol;prop-2-enenitrile
CID 19700097
ethane;tetrakis(prop-1-ene)
CID 90918926
ethene;tetrakis(prop-1-ene)
CID 158667737
λ2-plumbane;prop-1-ene
CID 173103273
ethane;bis(prop-1-ene)
CID 91426438
azane;tris(prop-1-ene)
CID 162019717
azane;tris(prop-1-ene)
CID 173323353
prop-1-ene;hydrochloride
CID 19097823

Frequently Asked Questions

What is the IUPAC name of methane;oxalonitrile;prop-1-ene?
The IUPAC name of methane;oxalonitrile;prop-1-ene (CID 174445104) is methane;oxalonitrile;prop-1-ene.
What is the SMILES notation for methane;oxalonitrile;prop-1-ene?
The canonical SMILES for methane;oxalonitrile;prop-1-ene is C.C=CC.N#CC#N.
What is the InChIKey of methane;oxalonitrile;prop-1-ene?
The InChIKey is PDZHMFWIORBWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6.C2N2.CH4/c1-3-2;3-1-2-4;/h3H,1H2,2H3;;1H4.
What are the key properties of methane;oxalonitrile;prop-1-ene?
methane;oxalonitrile;prop-1-ene has a molecular weight of 110.16 g/mol, XLogP of 1.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;oxalonitrile;prop-1-ene is sourced from PubChem (CID 174445104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).