(2E)-N-methoxy-N,4-dimethylpenta-2,4-dienamide

C8H13NO2 — CID 54064047

IUPAC(2E)-N-methoxy-N,4-dimethylpenta-2,4-dienamide
SMILESC=C(C)/C=C/C(=O)N(C)OC
InChIInChI=1S/C8H13NO2/c1-7(2)5-6-8(10)9(3)11-4/h5-6H,1H2,2-4H3/b6-5+
InChIKeyMBSJBDUBXVHPDA-AATRIKPKSA-N
MW155.20 g/mol
LogP1.14
Rot. Bonds3

About (2E)-N-methoxy-N,4-dimethylpenta-2,4-dienamide

(2E)-N-methoxy-N,4-dimethylpenta-2,4-dienamide (PubChem CID 54064047) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (2E)-N-methoxy-N,4-dimethylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2E)-N-methoxy-N,4-dimethylpenta-2,4-dienamide
PubChem CID54064047
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(2E)-N-methoxy-N,4-dimethylpenta-2,4-dienamide
SMILESC=C(C)/C=C/C(=O)N(C)OC
InChIInChI=1S/C8H13NO2/c1-7(2)5-6-8(10)9(3)11-4/h5-6H,1H2,2-4H3/b6-5+
InChIKeyMBSJBDUBXVHPDA-AATRIKPKSA-N
XLogP1.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-N-methoxy-N,4-dimethylpenta-2,4-dienamide?
The IUPAC name of (2E)-N-methoxy-N,4-dimethylpenta-2,4-dienamide (CID 54064047) is (2E)-N-methoxy-N,4-dimethylpenta-2,4-dienamide.
What is the SMILES notation for (2E)-N-methoxy-N,4-dimethylpenta-2,4-dienamide?
The canonical SMILES for (2E)-N-methoxy-N,4-dimethylpenta-2,4-dienamide is C=C(C)/C=C/C(=O)N(C)OC.
What is the InChIKey of (2E)-N-methoxy-N,4-dimethylpenta-2,4-dienamide?
The InChIKey is MBSJBDUBXVHPDA-AATRIKPKSA-N. The full InChI is InChI=1S/C8H13NO2/c1-7(2)5-6-8(10)9(3)11-4/h5-6H,1H2,2-4H3/b6-5+.
What are the key properties of (2E)-N-methoxy-N,4-dimethylpenta-2,4-dienamide?
(2E)-N-methoxy-N,4-dimethylpenta-2,4-dienamide has a molecular weight of 155.20 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-methoxy-N,4-dimethylpenta-2,4-dienamide is sourced from PubChem (CID 54064047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).