ethyl N-(4-methyl-3-oxopentan-2-yl)ethanimidate

C10H19NO2 — CID 91586475

IUPACethyl N-(4-methyl-3-oxopentan-2-yl)ethanimidate
SMILESCCO/C(C)=N/C(C)C(=O)C(C)C
InChIInChI=1S/C10H19NO2/c1-6-13-9(5)11-8(4)10(12)7(2)3/h7-8H,6H2,1-5H3/b11-9+
InChIKeyVHVIRTHRMBGNMZ-PKNBQFBNSA-N
MW185.27 g/mol
LogP2.05
Rot. Bonds4

About ethyl N-(4-methyl-3-oxopentan-2-yl)ethanimidate

ethyl N-(4-methyl-3-oxopentan-2-yl)ethanimidate (PubChem CID 91586475) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is ethyl N-(4-methyl-3-oxopentan-2-yl)ethanimidate.

Molecular Properties

Compound Nameethyl N-(4-methyl-3-oxopentan-2-yl)ethanimidate
PubChem CID91586475
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nameethyl N-(4-methyl-3-oxopentan-2-yl)ethanimidate
SMILESCCO/C(C)=N/C(C)C(=O)C(C)C
InChIInChI=1S/C10H19NO2/c1-6-13-9(5)11-8(4)10(12)7(2)3/h7-8H,6H2,1-5H3/b11-9+
InChIKeyVHVIRTHRMBGNMZ-PKNBQFBNSA-N
XLogP2.05
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-methyl-3-oxopentan-2-yl)ethanimidate?
The IUPAC name of ethyl N-(4-methyl-3-oxopentan-2-yl)ethanimidate (CID 91586475) is ethyl N-(4-methyl-3-oxopentan-2-yl)ethanimidate.
What is the SMILES notation for ethyl N-(4-methyl-3-oxopentan-2-yl)ethanimidate?
The canonical SMILES for ethyl N-(4-methyl-3-oxopentan-2-yl)ethanimidate is CCO/C(C)=N/C(C)C(=O)C(C)C.
What is the InChIKey of ethyl N-(4-methyl-3-oxopentan-2-yl)ethanimidate?
The InChIKey is VHVIRTHRMBGNMZ-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H19NO2/c1-6-13-9(5)11-8(4)10(12)7(2)3/h7-8H,6H2,1-5H3/b11-9+.
What are the key properties of ethyl N-(4-methyl-3-oxopentan-2-yl)ethanimidate?
ethyl N-(4-methyl-3-oxopentan-2-yl)ethanimidate has a molecular weight of 185.27 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-methyl-3-oxopentan-2-yl)ethanimidate is sourced from PubChem (CID 91586475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).