(4E,6Z)-3-ethenyl-N,7-dimethylnona-4,6-dienamide

C13H21NO — CID 174026900

IUPAC(4E,6Z)-3-ethenyl-N,7-dimethylnona-4,6-dienamide
SMILESC=CC(/C=C/C=C(/C)CC)CC(=O)NC
InChIInChI=1S/C13H21NO/c1-5-11(3)8-7-9-12(6-2)10-13(15)14-4/h6-9,12H,2,5,10H2,1,3-4H3,(H,14,15)/b9-7+,11-8-
InChIKeyRIYMLKQHVFDTNU-BGZVTZOUSA-N
MW207.32 g/mol
LogP2.84
Rot. Bonds6

About (4E,6Z)-3-ethenyl-N,7-dimethylnona-4,6-dienamide

(4E,6Z)-3-ethenyl-N,7-dimethylnona-4,6-dienamide (PubChem CID 174026900) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (4E,6Z)-3-ethenyl-N,7-dimethylnona-4,6-dienamide.

Molecular Properties

Compound Name(4E,6Z)-3-ethenyl-N,7-dimethylnona-4,6-dienamide
PubChem CID174026900
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(4E,6Z)-3-ethenyl-N,7-dimethylnona-4,6-dienamide
SMILESC=CC(/C=C/C=C(/C)CC)CC(=O)NC
InChIInChI=1S/C13H21NO/c1-5-11(3)8-7-9-12(6-2)10-13(15)14-4/h6-9,12H,2,5,10H2,1,3-4H3,(H,14,15)/b9-7+,11-8-
InChIKeyRIYMLKQHVFDTNU-BGZVTZOUSA-N
XLogP2.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4Z,6Z)-7-methyl-3-nitronona-1,4,6-triene
CID 165001579
(3E,5Z)-N,6-dimethylocta-1,3,5-trien-3-amine
CID 155329914
3,7-dimethyldeca-1,4,6-triene
CID 123725882
7-methylnona-4,6-dien-3-one
CID 90846612
N-methylpropanamide;prop-2-en-1-ol
CID 174821001
2-ethyl-6-methylocta-3,5-dien-1-ol
CID 88809517
(3S,5S)-3,5-dihydroxy-N,4,4-trimethylhept-6-enamide
CID 51355111
(2Z,4E)-N,5-dimethylhepta-2,4-dien-2-amine
CID 118534630
(3E)-3-methyl-7-methylsulfanylnona-3,5-diene
CID 142123449
3-methyl-2-[2-(methylamino)-2-oxoethyl]but-3-enoic acid
CID 123615948
N,4-dimethylhex-5-enamide
CID 155715427
2,5-dimethylhepta-2,4-diene
CID 54097255

Frequently Asked Questions

What is the IUPAC name of (4E,6Z)-3-ethenyl-N,7-dimethylnona-4,6-dienamide?
The IUPAC name of (4E,6Z)-3-ethenyl-N,7-dimethylnona-4,6-dienamide (CID 174026900) is (4E,6Z)-3-ethenyl-N,7-dimethylnona-4,6-dienamide.
What is the SMILES notation for (4E,6Z)-3-ethenyl-N,7-dimethylnona-4,6-dienamide?
The canonical SMILES for (4E,6Z)-3-ethenyl-N,7-dimethylnona-4,6-dienamide is C=CC(/C=C/C=C(/C)CC)CC(=O)NC.
What is the InChIKey of (4E,6Z)-3-ethenyl-N,7-dimethylnona-4,6-dienamide?
The InChIKey is RIYMLKQHVFDTNU-BGZVTZOUSA-N. The full InChI is InChI=1S/C13H21NO/c1-5-11(3)8-7-9-12(6-2)10-13(15)14-4/h6-9,12H,2,5,10H2,1,3-4H3,(H,14,15)/b9-7+,11-8-.
What are the key properties of (4E,6Z)-3-ethenyl-N,7-dimethylnona-4,6-dienamide?
(4E,6Z)-3-ethenyl-N,7-dimethylnona-4,6-dienamide has a molecular weight of 207.32 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6Z)-3-ethenyl-N,7-dimethylnona-4,6-dienamide is sourced from PubChem (CID 174026900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).