(3E,5E)-N-methoxy-N-methylhepta-3,5-dienamide

C9H15NO2 — CID 134939461

IUPAC(3E,5E)-N-methoxy-N-methylhepta-3,5-dienamide
SMILESC/C=C/C=C/CC(=O)N(C)OC
InChIInChI=1S/C9H15NO2/c1-4-5-6-7-8-9(11)10(2)12-3/h4-7H,8H2,1-3H3/b5-4+,7-6+
InChIKeyOVGMJRNNYWDWFA-YTXTXJHMSA-N
MW169.22 g/mol
LogP1.53
Rot. Bonds4

About (3E,5E)-N-methoxy-N-methylhepta-3,5-dienamide

(3E,5E)-N-methoxy-N-methylhepta-3,5-dienamide (PubChem CID 134939461) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (3E,5E)-N-methoxy-N-methylhepta-3,5-dienamide.

Molecular Properties

Compound Name(3E,5E)-N-methoxy-N-methylhepta-3,5-dienamide
PubChem CID134939461
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(3E,5E)-N-methoxy-N-methylhepta-3,5-dienamide
SMILESC/C=C/C=C/CC(=O)N(C)OC
InChIInChI=1S/C9H15NO2/c1-4-5-6-7-8-9(11)10(2)12-3/h4-7H,8H2,1-3H3/b5-4+,7-6+
InChIKeyOVGMJRNNYWDWFA-YTXTXJHMSA-N
XLogP1.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-methoxy-N-methylpent-3-enamide
CID 143446691
2-ethylidenedeca-4,6,8-trienoic acid
CID 175425345
N-methoxy-N-methylpropanamide
CID 11344007
N-methoxy-N,3-dimethylbutanamide
CID 10975620
sodium (3E,5E)-hepta-3,5-dienoate
CID 102011094
(2E,6E,8E,10E)-5-oxododeca-2,6,8,10-tetraenal
CID 164671294
methyl (2E,4E,8Z,10E,12E)-tetradeca-2,4,8,10,12-pentaenoate
CID 139599901
2-(ethenylamino)-N-methoxy-N-methylacetamide
CID 134970802
3-hydroxy-N-methoxy-N-methylbutanamide
CID 73159357
dimethyl 2-[(2Z,4E)-hexa-2,4-dienyl]-2-methoxypropanedioate
CID 10886641
(3R)-3-hydroxy-N-methoxy-N-methylpent-4-enamide
CID 25259472
1,3-dimethoxy-1,3-dimethylurea
CID 11159391

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-N-methoxy-N-methylhepta-3,5-dienamide?
The IUPAC name of (3E,5E)-N-methoxy-N-methylhepta-3,5-dienamide (CID 134939461) is (3E,5E)-N-methoxy-N-methylhepta-3,5-dienamide.
What is the SMILES notation for (3E,5E)-N-methoxy-N-methylhepta-3,5-dienamide?
The canonical SMILES for (3E,5E)-N-methoxy-N-methylhepta-3,5-dienamide is C/C=C/C=C/CC(=O)N(C)OC.
What is the InChIKey of (3E,5E)-N-methoxy-N-methylhepta-3,5-dienamide?
The InChIKey is OVGMJRNNYWDWFA-YTXTXJHMSA-N. The full InChI is InChI=1S/C9H15NO2/c1-4-5-6-7-8-9(11)10(2)12-3/h4-7H,8H2,1-3H3/b5-4+,7-6+.
What are the key properties of (3E,5E)-N-methoxy-N-methylhepta-3,5-dienamide?
(3E,5E)-N-methoxy-N-methylhepta-3,5-dienamide has a molecular weight of 169.22 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-N-methoxy-N-methylhepta-3,5-dienamide is sourced from PubChem (CID 134939461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).