ethanimidoyl (E)-2-methylundec-2-enoate

C14H25NO2 — CID 89244487

IUPACethanimidoyl (E)-2-methylundec-2-enoate
SMILES[H]/N=C(\C)OC(=O)/C(C)=C/CCCCCCCC
InChIInChI=1S/C14H25NO2/c1-4-5-6-7-8-9-10-11-12(2)14(16)17-13(3)15/h11,15H,4-10H2,1-3H3/b12-11+,15-13+
InChIKeyJNYAUOXOZHKWDJ-NOVYJZLUSA-N
MW239.36 g/mol
LogP4.22
Rot. Bonds8

About ethanimidoyl (E)-2-methylundec-2-enoate

ethanimidoyl (E)-2-methylundec-2-enoate (PubChem CID 89244487) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is ethanimidoyl (E)-2-methylundec-2-enoate.

Molecular Properties

Compound Nameethanimidoyl (E)-2-methylundec-2-enoate
PubChem CID89244487
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Nameethanimidoyl (E)-2-methylundec-2-enoate
SMILES[H]/N=C(\C)OC(=O)/C(C)=C/CCCCCCCC
InChIInChI=1S/C14H25NO2/c1-4-5-6-7-8-9-10-11-12(2)14(16)17-13(3)15/h11,15H,4-10H2,1-3H3/b12-11+,15-13+
InChIKeyJNYAUOXOZHKWDJ-NOVYJZLUSA-N
XLogP4.22
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethanimidoyl (E)-2-methylundec-2-enoate?
The IUPAC name of ethanimidoyl (E)-2-methylundec-2-enoate (CID 89244487) is ethanimidoyl (E)-2-methylundec-2-enoate.
What is the SMILES notation for ethanimidoyl (E)-2-methylundec-2-enoate?
The canonical SMILES for ethanimidoyl (E)-2-methylundec-2-enoate is [H]/N=C(\C)OC(=O)/C(C)=C/CCCCCCCC.
What is the InChIKey of ethanimidoyl (E)-2-methylundec-2-enoate?
The InChIKey is JNYAUOXOZHKWDJ-NOVYJZLUSA-N. The full InChI is InChI=1S/C14H25NO2/c1-4-5-6-7-8-9-10-11-12(2)14(16)17-13(3)15/h11,15H,4-10H2,1-3H3/b12-11+,15-13+.
What are the key properties of ethanimidoyl (E)-2-methylundec-2-enoate?
ethanimidoyl (E)-2-methylundec-2-enoate has a molecular weight of 239.36 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanimidoyl (E)-2-methylundec-2-enoate is sourced from PubChem (CID 89244487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).