(2E)-N-methoxy-N,2,5-trimethylhepta-2,5-dienamide

C11H19NO2 — CID 123817540

IUPAC(2E)-N-methoxy-N,2,5-trimethylhepta-2,5-dienamide
SMILESCC=C(C)C/C=C(\C)C(=O)N(C)OC
InChIInChI=1S/C11H19NO2/c1-6-9(2)7-8-10(3)11(13)12(4)14-5/h6,8H,7H2,1-5H3/b9-6?,10-8+
InChIKeyVYSUWYDYEXWKRQ-OWBFWQEZSA-N
MW197.28 g/mol
LogP2.31
Rot. Bonds4

About (2E)-N-methoxy-N,2,5-trimethylhepta-2,5-dienamide

(2E)-N-methoxy-N,2,5-trimethylhepta-2,5-dienamide (PubChem CID 123817540) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (2E)-N-methoxy-N,2,5-trimethylhepta-2,5-dienamide.

Molecular Properties

Compound Name(2E)-N-methoxy-N,2,5-trimethylhepta-2,5-dienamide
PubChem CID123817540
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(2E)-N-methoxy-N,2,5-trimethylhepta-2,5-dienamide
SMILESCC=C(C)C/C=C(\C)C(=O)N(C)OC
InChIInChI=1S/C11H19NO2/c1-6-9(2)7-8-10(3)11(13)12(4)14-5/h6,8H,7H2,1-5H3/b9-6?,10-8+
InChIKeyVYSUWYDYEXWKRQ-OWBFWQEZSA-N
XLogP2.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-N-methoxy-N,2,5-trimethylhepta-2,5-dienamide?
The IUPAC name of (2E)-N-methoxy-N,2,5-trimethylhepta-2,5-dienamide (CID 123817540) is (2E)-N-methoxy-N,2,5-trimethylhepta-2,5-dienamide.
What is the SMILES notation for (2E)-N-methoxy-N,2,5-trimethylhepta-2,5-dienamide?
The canonical SMILES for (2E)-N-methoxy-N,2,5-trimethylhepta-2,5-dienamide is CC=C(C)C/C=C(\C)C(=O)N(C)OC.
What is the InChIKey of (2E)-N-methoxy-N,2,5-trimethylhepta-2,5-dienamide?
The InChIKey is VYSUWYDYEXWKRQ-OWBFWQEZSA-N. The full InChI is InChI=1S/C11H19NO2/c1-6-9(2)7-8-10(3)11(13)12(4)14-5/h6,8H,7H2,1-5H3/b9-6?,10-8+.
What are the key properties of (2E)-N-methoxy-N,2,5-trimethylhepta-2,5-dienamide?
(2E)-N-methoxy-N,2,5-trimethylhepta-2,5-dienamide has a molecular weight of 197.28 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-methoxy-N,2,5-trimethylhepta-2,5-dienamide is sourced from PubChem (CID 123817540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).