N-but-3-enoxymethanimine

C5H9NO — CID 173263350

IUPACN-but-3-enoxymethanimine
SMILESC=CCCON=C
InChIInChI=1S/C5H9NO/c1-3-4-5-7-6-2/h3H,1-2,4-5H2
InChIKeyXYQWQCNEYCFLPS-UHFFFAOYSA-N
MW99.13 g/mol
LogP1.19
Rot. Bonds4

About N-but-3-enoxymethanimine

N-but-3-enoxymethanimine (PubChem CID 173263350) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is N-but-3-enoxymethanimine.

Molecular Properties

Compound NameN-but-3-enoxymethanimine
PubChem CID173263350
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC NameN-but-3-enoxymethanimine
SMILESC=CCCON=C
InChIInChI=1S/C5H9NO/c1-3-4-5-7-6-2/h3H,1-2,4-5H2
InChIKeyXYQWQCNEYCFLPS-UHFFFAOYSA-N
XLogP1.19
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

bis(but-3-enoxy)silane
CID 123606588
4-ethoxybut-1-ene
CID 533994
but-3-enyl formate
CID 10909500
but-3-enoxycyclobutane
CID 130057115
4-[2-(2-but-3-enoxyethoxymethoxymethoxy)ethoxy]but-1-ene
CID 57202172
but-3-enoxymethoxy(hydroxy)silane
CID 154087437
but-3-enyl 2-chloroethanesulfinate
CID 22751647
but-3-enoxymethoxymethanol
CID 101038946
1-but-3-enoxyethylidenechromium
CID 135085766
but-3-enyl 3-carbamoyl-2-methylidenebut-3-enoate
CID 162716692
2-bromo-1,3-bis(but-3-enoxy)benzene
CID 11077332
12-dodec-11-enoxydodec-1-ene
CID 87325659

Frequently Asked Questions

What is the IUPAC name of N-but-3-enoxymethanimine?
The IUPAC name of N-but-3-enoxymethanimine (CID 173263350) is N-but-3-enoxymethanimine.
What is the SMILES notation for N-but-3-enoxymethanimine?
The canonical SMILES for N-but-3-enoxymethanimine is C=CCCON=C.
What is the InChIKey of N-but-3-enoxymethanimine?
The InChIKey is XYQWQCNEYCFLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c1-3-4-5-7-6-2/h3H,1-2,4-5H2.
What are the key properties of N-but-3-enoxymethanimine?
N-but-3-enoxymethanimine has a molecular weight of 99.13 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enoxymethanimine is sourced from PubChem (CID 173263350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).