(2E,4Z)-N-methoxy-N,2,3-trimethylhexa-2,4-dienamide

C10H17NO2 — CID 88570337

IUPAC(2E,4Z)-N-methoxy-N,2,3-trimethylhexa-2,4-dienamide
SMILESC/C=C\C(C)=C(/C)C(=O)N(C)OC
InChIInChI=1S/C10H17NO2/c1-6-7-8(2)9(3)10(12)11(4)13-5/h6-7H,1-5H3/b7-6-,9-8+
InChIKeyZANAGWZJZMHGPN-NMMTYZSQSA-N
MW183.25 g/mol
LogP1.92
Rot. Bonds3

About (2E,4Z)-N-methoxy-N,2,3-trimethylhexa-2,4-dienamide

(2E,4Z)-N-methoxy-N,2,3-trimethylhexa-2,4-dienamide (PubChem CID 88570337) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (2E,4Z)-N-methoxy-N,2,3-trimethylhexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4Z)-N-methoxy-N,2,3-trimethylhexa-2,4-dienamide
PubChem CID88570337
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(2E,4Z)-N-methoxy-N,2,3-trimethylhexa-2,4-dienamide
SMILESC/C=C\C(C)=C(/C)C(=O)N(C)OC
InChIInChI=1S/C10H17NO2/c1-6-7-8(2)9(3)10(12)11(4)13-5/h6-7H,1-5H3/b7-6-,9-8+
InChIKeyZANAGWZJZMHGPN-NMMTYZSQSA-N
XLogP1.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.92
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,4Z)-N-methoxy-N,2,3-trimethylhexa-2,4-dienamide?
The IUPAC name of (2E,4Z)-N-methoxy-N,2,3-trimethylhexa-2,4-dienamide (CID 88570337) is (2E,4Z)-N-methoxy-N,2,3-trimethylhexa-2,4-dienamide.
What is the SMILES notation for (2E,4Z)-N-methoxy-N,2,3-trimethylhexa-2,4-dienamide?
The canonical SMILES for (2E,4Z)-N-methoxy-N,2,3-trimethylhexa-2,4-dienamide is C/C=C\C(C)=C(/C)C(=O)N(C)OC.
What is the InChIKey of (2E,4Z)-N-methoxy-N,2,3-trimethylhexa-2,4-dienamide?
The InChIKey is ZANAGWZJZMHGPN-NMMTYZSQSA-N. The full InChI is InChI=1S/C10H17NO2/c1-6-7-8(2)9(3)10(12)11(4)13-5/h6-7H,1-5H3/b7-6-,9-8+.
What are the key properties of (2E,4Z)-N-methoxy-N,2,3-trimethylhexa-2,4-dienamide?
(2E,4Z)-N-methoxy-N,2,3-trimethylhexa-2,4-dienamide has a molecular weight of 183.25 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-methoxy-N,2,3-trimethylhexa-2,4-dienamide is sourced from PubChem (CID 88570337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).