(E)-N-methoxybutan-2-imine;methyl acetate

C8H17NO3 — CID 91150497

IUPAC(E)-N-methoxybutan-2-imine;methyl acetate
SMILESCC/C(C)=N/OC.COC(C)=O
InChIInChI=1S/C5H11NO.C3H6O2/c1-4-5(2)6-7-3;1-3(4)5-2/h4H2,1-3H3;1-2H3/b6-5+;
InChIKeyGSMOZYXWJFYNMY-IPZCTEOASA-N
MW175.23 g/mol
LogP1.60
Rot. Bonds2

About (E)-N-methoxybutan-2-imine;methyl acetate

(E)-N-methoxybutan-2-imine;methyl acetate (PubChem CID 91150497) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is (E)-N-methoxybutan-2-imine;methyl acetate.

Molecular Properties

Compound Name(E)-N-methoxybutan-2-imine;methyl acetate
PubChem CID91150497
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name(E)-N-methoxybutan-2-imine;methyl acetate
SMILESCC/C(C)=N/OC.COC(C)=O
InChIInChI=1S/C5H11NO.C3H6O2/c1-4-5(2)6-7-3;1-3(4)5-2/h4H2,1-3H3;1-2H3/b6-5+;
InChIKeyGSMOZYXWJFYNMY-IPZCTEOASA-N
XLogP1.60
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

N,N-dimethylmethanamine;(E)-N-methoxybutan-2-imine;2-methoxyprop-1-ene;methyl acetate
CID 172985845
N-ethyl-N-methylacetamide;N-ethyl-N-methylethanamine;methane;N-methoxybutan-2-imine;2-methoxyprop-1-ene;methyl acetate
CID 159960208
methyl 3-methoxyiminobutanoate
CID 72729968
methyl acetate;ruthenium
CID 160799101
(butan-2-ylideneamino) carbamate
CID 54343836
2-N,5-N-dimethoxyhexane-2,5-diimine
CID 13034305
[(E)-butan-2-ylideneamino] carbonochloridate
CID 11051834
bismuthane;methyl acetate
CID 174537209
methane;methyl acetate
CID 162094565
argon;methyl acetate
CID 169424774
methyl acetate;titanium
CID 87665287
methane;methyl acetate
CID 158871569

Frequently Asked Questions

What is the IUPAC name of (E)-N-methoxybutan-2-imine;methyl acetate?
The IUPAC name of (E)-N-methoxybutan-2-imine;methyl acetate (CID 91150497) is (E)-N-methoxybutan-2-imine;methyl acetate.
What is the SMILES notation for (E)-N-methoxybutan-2-imine;methyl acetate?
The canonical SMILES for (E)-N-methoxybutan-2-imine;methyl acetate is CC/C(C)=N/OC.COC(C)=O.
What is the InChIKey of (E)-N-methoxybutan-2-imine;methyl acetate?
The InChIKey is GSMOZYXWJFYNMY-IPZCTEOASA-N. The full InChI is InChI=1S/C5H11NO.C3H6O2/c1-4-5(2)6-7-3;1-3(4)5-2/h4H2,1-3H3;1-2H3/b6-5+;.
What are the key properties of (E)-N-methoxybutan-2-imine;methyl acetate?
(E)-N-methoxybutan-2-imine;methyl acetate has a molecular weight of 175.23 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxybutan-2-imine;methyl acetate is sourced from PubChem (CID 91150497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).