(E)-N-methoxybut-3-en-2-imine

C5H9NO — CID 142905738

IUPAC(E)-N-methoxybut-3-en-2-imine
SMILESC=C/C(C)=N/OC
InChIInChI=1S/C5H9NO/c1-4-5(2)6-7-3/h4H,1H2,2-3H3/b6-5+
InChIKeyKMRYYHIIOBRVKX-AATRIKPKSA-N
MW99.13 g/mol
LogP1.19
Rot. Bonds2

About (E)-N-methoxybut-3-en-2-imine

(E)-N-methoxybut-3-en-2-imine (PubChem CID 142905738) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is (E)-N-methoxybut-3-en-2-imine.

Molecular Properties

Compound Name(E)-N-methoxybut-3-en-2-imine
PubChem CID142905738
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name(E)-N-methoxybut-3-en-2-imine
SMILESC=C/C(C)=N/OC
InChIInChI=1S/C5H9NO/c1-4-5(2)6-7-3/h4H,1H2,2-3H3/b6-5+
InChIKeyKMRYYHIIOBRVKX-AATRIKPKSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

chromium;N-(2-methoxyiminopropylidene)hydroxylamine
CID 174360652
CID 174297388
CID 174297388
methoxymethane;2-methylbuta-1,3-diene
CID 159763877
N-(but-3-en-2-ylideneamino)-N-methylmethanamine
CID 535821
ethane;(Z)-N-(methylideneamino)but-3-en-2-imine
CID 143330418
N-[(Z)-but-2-en-2-yl]but-3-en-2-imine;ethane
CID 142047244
N-[(Z)-but-3-en-2-ylideneamino]methanamine;ethane
CID 142586154
(Z)-N-[(Z)-ethylideneamino]but-3-en-2-imine
CID 90089205
N-[(Z)-but-2-en-2-yl]but-3-en-2-imine;ethane
CID 142047288
2-N,5-N-dimethoxyhexane-2,5-diimine
CID 13034305
2-(but-3-en-2-ylideneamino)ethene-1,1-diamine
CID 126596280
2-(but-3-en-2-ylideneamino)ethenamine
CID 146739321

Frequently Asked Questions

What is the IUPAC name of (E)-N-methoxybut-3-en-2-imine?
The IUPAC name of (E)-N-methoxybut-3-en-2-imine (CID 142905738) is (E)-N-methoxybut-3-en-2-imine.
What is the SMILES notation for (E)-N-methoxybut-3-en-2-imine?
The canonical SMILES for (E)-N-methoxybut-3-en-2-imine is C=C/C(C)=N/OC.
What is the InChIKey of (E)-N-methoxybut-3-en-2-imine?
The InChIKey is KMRYYHIIOBRVKX-AATRIKPKSA-N. The full InChI is InChI=1S/C5H9NO/c1-4-5(2)6-7-3/h4H,1H2,2-3H3/b6-5+.
What are the key properties of (E)-N-methoxybut-3-en-2-imine?
(E)-N-methoxybut-3-en-2-imine has a molecular weight of 99.13 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxybut-3-en-2-imine is sourced from PubChem (CID 142905738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).