buta-1,3-diene;O-ethenylhydroxylamine;methane

C8H19NO — CID 143706200

IUPACbuta-1,3-diene;O-ethenylhydroxylamine;methane
SMILESC.C.C=CC=C.C=CON
InChIInChI=1S/C4H6.C2H5NO.2CH4/c1-3-4-2;1-2-4-3;;/h3-4H,1-2H2;2H,1,3H2;2*1H4
InChIKeyOFRVGKOVYHRDFW-UHFFFAOYSA-N
MW145.25 g/mol
LogP2.65
Rot. Bonds2

About buta-1,3-diene;O-ethenylhydroxylamine;methane

buta-1,3-diene;O-ethenylhydroxylamine;methane (PubChem CID 143706200) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is buta-1,3-diene;O-ethenylhydroxylamine;methane.

Molecular Properties

Compound Namebuta-1,3-diene;O-ethenylhydroxylamine;methane
PubChem CID143706200
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Namebuta-1,3-diene;O-ethenylhydroxylamine;methane
SMILESC.C.C=CC=C.C=CON
InChIInChI=1S/C4H6.C2H5NO.2CH4/c1-3-4-2;1-2-4-3;;/h3-4H,1-2H2;2H,1,3H2;2*1H4
InChIKeyOFRVGKOVYHRDFW-UHFFFAOYSA-N
XLogP2.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

buta-1,3-diene;hydrazine
CID 159339609
buta-1,3-diene;methane;uranium
CID 159390799
buta-1,3-diene
CID 7845
O-[(1Z)-buta-1,3-dienyl]hydroxylamine
CID 143339294
magnesium buta-1,3-diene
CID 12825333
buta-1,3-diene;hydrochloride
CID 22994657
CID 158304462
CID 158304462
buta-1,3-diene;niobium
CID 159648114
buta-1,3-diene;sulfanide
CID 19865721
buta-1,3-diene;iron
CID 162166564
buta-1,3-diene;zirconium
CID 173105589
buta-1,3-diene;ethane;methane;prop-1-ene
CID 142056054

Frequently Asked Questions

What is the IUPAC name of buta-1,3-diene;O-ethenylhydroxylamine;methane?
The IUPAC name of buta-1,3-diene;O-ethenylhydroxylamine;methane (CID 143706200) is buta-1,3-diene;O-ethenylhydroxylamine;methane.
What is the SMILES notation for buta-1,3-diene;O-ethenylhydroxylamine;methane?
The canonical SMILES for buta-1,3-diene;O-ethenylhydroxylamine;methane is C.C.C=CC=C.C=CON.
What is the InChIKey of buta-1,3-diene;O-ethenylhydroxylamine;methane?
The InChIKey is OFRVGKOVYHRDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6.C2H5NO.2CH4/c1-3-4-2;1-2-4-3;;/h3-4H,1-2H2;2H,1,3H2;2*1H4.
What are the key properties of buta-1,3-diene;O-ethenylhydroxylamine;methane?
buta-1,3-diene;O-ethenylhydroxylamine;methane has a molecular weight of 145.25 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,3-diene;O-ethenylhydroxylamine;methane is sourced from PubChem (CID 143706200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).