N-ethenoxypropan-2-imine

C5H9NO — CID 4258291

IUPACN-ethenoxypropan-2-imine
SMILESC=CON=C(C)C
InChIInChI=1S/C5H9NO/c1-4-7-6-5(2)3/h4H,1H2,2-3H3
InChIKeyNUIYECSHCWQSNQ-UHFFFAOYSA-N
MW99.13 g/mol
LogP1.54
Rot. Bonds2

About N-ethenoxypropan-2-imine

N-ethenoxypropan-2-imine (PubChem CID 4258291) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is N-ethenoxypropan-2-imine.

Molecular Properties

Compound NameN-ethenoxypropan-2-imine
PubChem CID4258291
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC NameN-ethenoxypropan-2-imine
SMILESC=CON=C(C)C
InChIInChI=1S/C5H9NO/c1-4-7-6-5(2)3/h4H,1H2,2-3H3
InChIKeyNUIYECSHCWQSNQ-UHFFFAOYSA-N
XLogP1.54
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

O-Ethylacetoxime
CID 14177406
Acetone, O-propyloxime
CID 18725363
(E)-O-Vinylmethylisopropylketoxime
CID 5323539
acetone O-allyloxime
CID 12475444
2-Propanone, O-butyloxime
CID 22964096
butan-2-one O-ethyloxime
CID 22087388
3-methylbutan-2-one O-vinyloxime
CID 636829
(Z)-N-ethenoxy-3-methylbutan-2-imine
CID 5478954
(NE)-N-[(3E)-3-ethenoxyiminobutan-2-ylidene]hydroxylamine
CID 135423451
ethenoxyethene;N-propan-2-ylidenehydroxylamine
CID 22930661
N-Propoxy-2-butanimine
CID 53721210
N-Ethoxy-2-butanimine
CID 54202913

Frequently Asked Questions

What is the IUPAC name of N-ethenoxypropan-2-imine?
The IUPAC name of N-ethenoxypropan-2-imine (CID 4258291) is N-ethenoxypropan-2-imine.
What is the SMILES notation for N-ethenoxypropan-2-imine?
The canonical SMILES for N-ethenoxypropan-2-imine is C=CON=C(C)C.
What is the InChIKey of N-ethenoxypropan-2-imine?
The InChIKey is NUIYECSHCWQSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c1-4-7-6-5(2)3/h4H,1H2,2-3H3.
What are the key properties of N-ethenoxypropan-2-imine?
N-ethenoxypropan-2-imine has a molecular weight of 99.13 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenoxypropan-2-imine is sourced from PubChem (CID 4258291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).