N,N-dimethyl-7-oxohepta-2,4-dienamide

C9H13NO2 — CID 137379587

IUPACN,N-dimethyl-7-oxohepta-2,4-dienamide
SMILESCN(C)C(=O)C=CC=CCC=O
InChIInChI=1S/C9H13NO2/c1-10(2)9(12)7-5-3-4-6-8-11/h3-5,7-8H,6H2,1-2H3
InChIKeyDHWUHKFKNVDYSG-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.78
Rot. Bonds4

About N,N-dimethyl-7-oxohepta-2,4-dienamide

N,N-dimethyl-7-oxohepta-2,4-dienamide (PubChem CID 137379587) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is N,N-dimethyl-7-oxohepta-2,4-dienamide.

Molecular Properties

Compound NameN,N-dimethyl-7-oxohepta-2,4-dienamide
PubChem CID137379587
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC NameN,N-dimethyl-7-oxohepta-2,4-dienamide
SMILESCN(C)C(=O)C=CC=CCC=O
InChIInChI=1S/C9H13NO2/c1-10(2)9(12)7-5-3-4-6-8-11/h3-5,7-8H,6H2,1-2H3
InChIKeyDHWUHKFKNVDYSG-UHFFFAOYSA-N
XLogP0.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyldeca-2,4-dienamide
CID 123964212
(2Z)-N,N-dimethylpenta-2,4-dienamide;ethane
CID 143678790
(E)-N,N-dimethylpent-2-enamide;ethane
CID 162375612
N,N-dimethyl-9-phenylnona-2,4-dienamide
CID 123716646
14-oxodotriaconta-3,5,10,12,20,22,24-heptaenal
CID 176646419
14-oxotritriaconta-3,5,10,12,20,22,24-heptaenal
CID 176646403
N,N-dimethyl-10-phenyldeca-2,4-dienamide
CID 123909046
5-fluoro-N,N-dimethylpent-2-enamide
CID 141430531
(E)-pent-2-enedial;urea
CID 118364474
(E)-N,N-dimethyl-4-(propylamino)but-2-enamide
CID 156709508
(3E,5E)-6-bromohexa-3,5-dienal
CID 19781138
(2E,4E)-N,N-dimethyl-5-(4-methylphenyl)penta-2,4-dienamide
CID 139551714

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-7-oxohepta-2,4-dienamide?
The IUPAC name of N,N-dimethyl-7-oxohepta-2,4-dienamide (CID 137379587) is N,N-dimethyl-7-oxohepta-2,4-dienamide.
What is the SMILES notation for N,N-dimethyl-7-oxohepta-2,4-dienamide?
The canonical SMILES for N,N-dimethyl-7-oxohepta-2,4-dienamide is CN(C)C(=O)C=CC=CCC=O.
What is the InChIKey of N,N-dimethyl-7-oxohepta-2,4-dienamide?
The InChIKey is DHWUHKFKNVDYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-10(2)9(12)7-5-3-4-6-8-11/h3-5,7-8H,6H2,1-2H3.
What are the key properties of N,N-dimethyl-7-oxohepta-2,4-dienamide?
N,N-dimethyl-7-oxohepta-2,4-dienamide has a molecular weight of 167.21 g/mol, XLogP of 0.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-7-oxohepta-2,4-dienamide is sourced from PubChem (CID 137379587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).