octa-2,7-dienamide

C8H13NO — CID 166513974

IUPACocta-2,7-dienamide
SMILESC=CCCCC=CC(N)=O
InChIInChI=1S/C8H13NO/c1-2-3-4-5-6-7-8(9)10/h2,6-7H,1,3-5H2,(H2,9,10)
InChIKeyJNQFLGNIWRHVLI-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.38
Rot. Bonds5

About octa-2,7-dienamide

octa-2,7-dienamide (PubChem CID 166513974) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is octa-2,7-dienamide.

Molecular Properties

Compound Nameocta-2,7-dienamide
PubChem CID166513974
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Nameocta-2,7-dienamide
SMILESC=CCCCC=CC(N)=O
InChIInChI=1S/C8H13NO/c1-2-3-4-5-6-7-8(9)10/h2,6-7H,1,3-5H2,(H2,9,10)
InChIKeyJNQFLGNIWRHVLI-UHFFFAOYSA-N
XLogP1.38
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-7-oxohept-2-enamide
CID 153402792
hept-2-enamide;dihydrochloride
CID 142841404
(Z)-non-2-enamide
CID 97047009
(2E,8Z)-undeca-2,8-dienamide
CID 87669666
dodeca-1,6,11-triene
CID 548864
(E)-12-amino-12-oxododec-10-enoic acid
CID 87055158
docosa-2,13-dienamide
CID 91597038
(E)-7-(diaminomethylideneamino)hept-2-enamide
CID 13273202
trideca-2,6-dienamide
CID 163862607
[(2E)-octa-2,7-dienyl] prop-2-enoate
CID 12861169
hepta-2,5-dienediamide;prop-2-enoic acid
CID 159289765
nonadec-18-enamide
CID 166991988

Frequently Asked Questions

What is the IUPAC name of octa-2,7-dienamide?
The IUPAC name of octa-2,7-dienamide (CID 166513974) is octa-2,7-dienamide.
What is the SMILES notation for octa-2,7-dienamide?
The canonical SMILES for octa-2,7-dienamide is C=CCCCC=CC(N)=O.
What is the InChIKey of octa-2,7-dienamide?
The InChIKey is JNQFLGNIWRHVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-3-4-5-6-7-8(9)10/h2,6-7H,1,3-5H2,(H2,9,10).
What are the key properties of octa-2,7-dienamide?
octa-2,7-dienamide has a molecular weight of 139.20 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octa-2,7-dienamide is sourced from PubChem (CID 166513974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).