(2Z,3Z)-2-(1-methoxyethylidene)-N-methylhexa-3,5-dienamide

C10H15NO2 — CID 144546397

IUPAC(2Z,3Z)-2-(1-methoxyethylidene)-N-methylhexa-3,5-dienamide
SMILESC=C/C=C\C(C(=O)NC)=C(/C)OC
InChIInChI=1S/C10H15NO2/c1-5-6-7-9(8(2)13-4)10(12)11-3/h5-7H,1H2,2-4H3,(H,11,12)/b7-6-,9-8-
InChIKeyFLQICXQGHZVPTK-JPDBVBESSA-N
MW181.23 g/mol
LogP1.39
Rot. Bonds4

About (2Z,3Z)-2-(1-methoxyethylidene)-N-methylhexa-3,5-dienamide

(2Z,3Z)-2-(1-methoxyethylidene)-N-methylhexa-3,5-dienamide (PubChem CID 144546397) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is (2Z,3Z)-2-(1-methoxyethylidene)-N-methylhexa-3,5-dienamide.

Molecular Properties

Compound Name(2Z,3Z)-2-(1-methoxyethylidene)-N-methylhexa-3,5-dienamide
PubChem CID144546397
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name(2Z,3Z)-2-(1-methoxyethylidene)-N-methylhexa-3,5-dienamide
SMILESC=C/C=C\C(C(=O)NC)=C(/C)OC
InChIInChI=1S/C10H15NO2/c1-5-6-7-9(8(2)13-4)10(12)11-3/h5-7H,1H2,2-4H3,(H,11,12)/b7-6-,9-8-
InChIKeyFLQICXQGHZVPTK-JPDBVBESSA-N
XLogP1.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3Z,5Z)-5,6-dimethoxyhepta-1,3,5-triene
CID 89381368
(2E,3Z)-N-methyl-2-prop-2-enylidenehexa-3,5-dienamide
CID 130205003
(2E,4Z)-N,3-dimethylhepta-2,4,6-trien-2-amine
CID 134369186
methyl (4Z)-3-methylidenehepta-4,6-dienoate
CID 143290496
methyl 4-oxoocta-5,7-dienoate
CID 57042695
CID 156797750
CID 156797750
(3E)-1-methoxyhexa-3,5-dien-2-one
CID 131241079
(3Z,7Z,11Z)-2-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene
CID 143476273
(1Z,3Z)-N,2-dimethylhexa-1,3,5-trien-1-amine
CID 126689878
[(2Z,4Z)-2-methoxyhepta-2,4,6-trien-3-yl]benzene
CID 89247777
ethane;(2E,4E,5Z)-4-ethylidene-N-methylocta-2,5,7-trienamide
CID 142901922
(3Z,7Z)-2-methoxy-3-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 142839425

Frequently Asked Questions

What is the IUPAC name of (2Z,3Z)-2-(1-methoxyethylidene)-N-methylhexa-3,5-dienamide?
The IUPAC name of (2Z,3Z)-2-(1-methoxyethylidene)-N-methylhexa-3,5-dienamide (CID 144546397) is (2Z,3Z)-2-(1-methoxyethylidene)-N-methylhexa-3,5-dienamide.
What is the SMILES notation for (2Z,3Z)-2-(1-methoxyethylidene)-N-methylhexa-3,5-dienamide?
The canonical SMILES for (2Z,3Z)-2-(1-methoxyethylidene)-N-methylhexa-3,5-dienamide is C=C/C=C\C(C(=O)NC)=C(/C)OC.
What is the InChIKey of (2Z,3Z)-2-(1-methoxyethylidene)-N-methylhexa-3,5-dienamide?
The InChIKey is FLQICXQGHZVPTK-JPDBVBESSA-N. The full InChI is InChI=1S/C10H15NO2/c1-5-6-7-9(8(2)13-4)10(12)11-3/h5-7H,1H2,2-4H3,(H,11,12)/b7-6-,9-8-.
What are the key properties of (2Z,3Z)-2-(1-methoxyethylidene)-N-methylhexa-3,5-dienamide?
(2Z,3Z)-2-(1-methoxyethylidene)-N-methylhexa-3,5-dienamide has a molecular weight of 181.23 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3Z)-2-(1-methoxyethylidene)-N-methylhexa-3,5-dienamide is sourced from PubChem (CID 144546397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).