ethane;methyl 2-methyliminopropanoate

C7H15NO2 — CID 158274889

IUPACethane;methyl 2-methyliminopropanoate
SMILESC/N=C(\C)C(=O)OC.CC
InChIInChI=1S/C5H9NO2.C2H6/c1-4(6-2)5(7)8-3;1-2/h1-3H3;1-2H3/b6-4+;
InChIKeyGJMITLQPEQRLBH-CVDVRWGVSA-N
MW145.20 g/mol
LogP1.28
Rot. Bonds1

About ethane;methyl 2-methyliminopropanoate

ethane;methyl 2-methyliminopropanoate (PubChem CID 158274889) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is ethane;methyl 2-methyliminopropanoate.

Molecular Properties

Compound Nameethane;methyl 2-methyliminopropanoate
PubChem CID158274889
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Nameethane;methyl 2-methyliminopropanoate
SMILESC/N=C(\C)C(=O)OC.CC
InChIInChI=1S/C5H9NO2.C2H6/c1-4(6-2)5(7)8-3;1-2/h1-3H3;1-2H3/b6-4+;
InChIKeyGJMITLQPEQRLBH-CVDVRWGVSA-N
XLogP1.28
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methyl 2-(2,2,2-trifluoroethylimino)propanoate
CID 134862720
4-Methyl-5-oxazolone
CID 85557692
Propanoic acid, 2-(methoxyimino)-, methyl ester
CID 9602966
1-ethoxy-N-methyl-1-oxopropan-2-imine oxide
CID 10877249
2-(Methoxyimino)propionic acid methyl ester
CID 582954
methyl (2Z)-2-methoxyiminopropanoate
CID 5371809
Methyl 3-methyliminobutanoate
CID 6933507
Ethyl 2-methyliminobutanoate
CID 18322595
Methyl 2-methyliminopropanoate
CID 18322602
Ethyl 2-methyliminopropanoate
CID 20717755
Methyl 2-methyliminobutanoate
CID 20717772
Methyl 3-ethyliminobutanoate
CID 54224289

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 2-methyliminopropanoate?
The IUPAC name of ethane;methyl 2-methyliminopropanoate (CID 158274889) is ethane;methyl 2-methyliminopropanoate.
What is the SMILES notation for ethane;methyl 2-methyliminopropanoate?
The canonical SMILES for ethane;methyl 2-methyliminopropanoate is C/N=C(\C)C(=O)OC.CC.
What is the InChIKey of ethane;methyl 2-methyliminopropanoate?
The InChIKey is GJMITLQPEQRLBH-CVDVRWGVSA-N. The full InChI is InChI=1S/C5H9NO2.C2H6/c1-4(6-2)5(7)8-3;1-2/h1-3H3;1-2H3/b6-4+;.
What are the key properties of ethane;methyl 2-methyliminopropanoate?
ethane;methyl 2-methyliminopropanoate has a molecular weight of 145.20 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 2-methyliminopropanoate is sourced from PubChem (CID 158274889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).