ethane;methyl 2-(ethylideneamino)acetate

C7H15NO2 — CID 142100643

IUPACethane;methyl 2-(ethylideneamino)acetate
SMILESC/C=N/CC(=O)OC.CC
InChIInChI=1S/C5H9NO2.C2H6/c1-3-6-4-5(7)8-2;1-2/h3H,4H2,1-2H3;1-2H3/b6-3+;
InChIKeyXCRGKGNIJXVQQR-ZIKNSQGESA-N
MW145.20 g/mol
LogP1.28
Rot. Bonds2

About ethane;methyl 2-(ethylideneamino)acetate

ethane;methyl 2-(ethylideneamino)acetate (PubChem CID 142100643) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is ethane;methyl 2-(ethylideneamino)acetate.

Molecular Properties

Compound Nameethane;methyl 2-(ethylideneamino)acetate
PubChem CID142100643
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Nameethane;methyl 2-(ethylideneamino)acetate
SMILESC/C=N/CC(=O)OC.CC
InChIInChI=1S/C5H9NO2.C2H6/c1-3-6-4-5(7)8-2;1-2/h3H,4H2,1-2H3;1-2H3/b6-3+;
InChIKeyXCRGKGNIJXVQQR-ZIKNSQGESA-N
XLogP1.28
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
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-(methylideneamino)acetate
CID 3084751
Ethyl 2-(1-ethoxyethylideneamino)acetate
CID 295983
Methyl[(1-ethoxyethylidene)amino]acetate
CID 10986527
Ethyl 2-(methylideneamino)acetate
CID 12755258
Methyl 2-(2-methylpropylideneamino)acetate
CID 13125041
[3-methyl-but-(E)-ylideneamino]-acetic acid methyl ester
CID 87096444
Methyl 2-(butylideneamino)acetate
CID 139254783
Methyl-(z)-2-((1-methoxyethylidene)amino)acetate
CID 10749310
Ethyl 2-[(1-methoxyethylidene) amino]acetate
CID 132281819
Ethyl alpha-ethoxyethylideneaminoacetate
CID 368175
Methyl 2-(propan-2-ylideneamino)acetate
CID 11829458
Ethyl 2-(ethoxymethylideneamino)acetate
CID 20535597

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 2-(ethylideneamino)acetate?
The IUPAC name of ethane;methyl 2-(ethylideneamino)acetate (CID 142100643) is ethane;methyl 2-(ethylideneamino)acetate.
What is the SMILES notation for ethane;methyl 2-(ethylideneamino)acetate?
The canonical SMILES for ethane;methyl 2-(ethylideneamino)acetate is C/C=N/CC(=O)OC.CC.
What is the InChIKey of ethane;methyl 2-(ethylideneamino)acetate?
The InChIKey is XCRGKGNIJXVQQR-ZIKNSQGESA-N. The full InChI is InChI=1S/C5H9NO2.C2H6/c1-3-6-4-5(7)8-2;1-2/h3H,4H2,1-2H3;1-2H3/b6-3+;.
What are the key properties of ethane;methyl 2-(ethylideneamino)acetate?
ethane;methyl 2-(ethylideneamino)acetate has a molecular weight of 145.20 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 2-(ethylideneamino)acetate is sourced from PubChem (CID 142100643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).