2-acetamidoocta-6,7-dienoic acid

C10H15NO3 — CID 10535923

IUPAC2-acetamidoocta-6,7-dienoic acid
SMILESC=C=CCCCC(NC(C)=O)C(=O)O
InChIInChI=1S/C10H15NO3/c1-3-4-5-6-7-9(10(13)14)11-8(2)12/h4,9H,1,5-7H2,2H3,(H,11,12)(H,13,14)
InChIKeyGCRYELMGIODAFI-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.09
Rot. Bonds6

About 2-acetamidoocta-6,7-dienoic acid

2-acetamidoocta-6,7-dienoic acid (PubChem CID 10535923) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-acetamidoocta-6,7-dienoic acid.

Molecular Properties

Compound Name2-acetamidoocta-6,7-dienoic acid
PubChem CID10535923
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name2-acetamidoocta-6,7-dienoic acid
SMILESC=C=CCCCC(NC(C)=O)C(=O)O
InChIInChI=1S/C10H15NO3/c1-3-4-5-6-7-9(10(13)14)11-8(2)12/h4,9H,1,5-7H2,2H3,(H,11,12)(H,13,14)
InChIKeyGCRYELMGIODAFI-UHFFFAOYSA-N
XLogP1.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-diacetamidopentanoic acid
CID 10398396
2-acetamidotetracosanoic acid
CID 13224380
(2R)-2-acetamidopentanedioic acid
CID 161394708
2-acetamido-6-aminohexanoic acid;2-aminoacetic acid
CID 174935142
(2S)-2-acetamido-7-methoxy-7-oxoheptanoic acid
CID 10537484
(2S)-2-acetamido-5-aminopentanoic acid;(2S)-2,5-diaminopentanoic acid
CID 159030403
(2S)-2-acetamido-3-[[(2S)-2-acetamido-2-carboxyethyl]disulfanyl]propanoic acid
CID 11461484
2-acetamido-4-methyltellanylbutanoic acid
CID 11108931
(2R)-2-acetamido-4-methylsulfanylbutanoic acid
CID 6991987
sodium;(2S)-2-acetamidopentanedioic acid;hydride
CID 174759802
(2S)-2-acetamido-5-[[(1S)-1-carboxy-4-[[(1S)-1-carboxy-4-[[(1S)-1-carboxy-4-oxobutyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-5-oxopentanoic acid
CID 134482695
CID 170843089
CID 170843089

Frequently Asked Questions

What is the IUPAC name of 2-acetamidoocta-6,7-dienoic acid?
The IUPAC name of 2-acetamidoocta-6,7-dienoic acid (CID 10535923) is 2-acetamidoocta-6,7-dienoic acid.
What is the SMILES notation for 2-acetamidoocta-6,7-dienoic acid?
The canonical SMILES for 2-acetamidoocta-6,7-dienoic acid is C=C=CCCCC(NC(C)=O)C(=O)O.
What is the InChIKey of 2-acetamidoocta-6,7-dienoic acid?
The InChIKey is GCRYELMGIODAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-3-4-5-6-7-9(10(13)14)11-8(2)12/h4,9H,1,5-7H2,2H3,(H,11,12)(H,13,14).
What are the key properties of 2-acetamidoocta-6,7-dienoic acid?
2-acetamidoocta-6,7-dienoic acid has a molecular weight of 197.23 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamidoocta-6,7-dienoic acid is sourced from PubChem (CID 10535923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).