N-[(4E)-hepta-4,6-dienyl]formamide

C8H13NO — CID 11521087

IUPACN-[(4E)-hepta-4,6-dienyl]formamide
SMILESC=C/C=C/CCCNC=O
InChIInChI=1S/C8H13NO/c1-2-3-4-5-6-7-9-8-10/h2-4,8H,1,5-7H2,(H,9,10)/b4-3+
InChIKeyFVHLWDXYKBNOPY-ONEGZZNKSA-N
MW139.20 g/mol
LogP1.25
Rot. Bonds6

About N-[(4E)-hepta-4,6-dienyl]formamide

N-[(4E)-hepta-4,6-dienyl]formamide (PubChem CID 11521087) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is N-[(4E)-hepta-4,6-dienyl]formamide.

Molecular Properties

Compound NameN-[(4E)-hepta-4,6-dienyl]formamide
PubChem CID11521087
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC NameN-[(4E)-hepta-4,6-dienyl]formamide
SMILESC=C/C=C/CCCNC=O
InChIInChI=1S/C8H13NO/c1-2-3-4-5-6-7-9-8-10/h2-4,8H,1,5-7H2,(H,9,10)/b4-3+
InChIKeyFVHLWDXYKBNOPY-ONEGZZNKSA-N
XLogP1.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4E)-hepta-4,6-dienyl]formamide?
The IUPAC name of N-[(4E)-hepta-4,6-dienyl]formamide (CID 11521087) is N-[(4E)-hepta-4,6-dienyl]formamide.
What is the SMILES notation for N-[(4E)-hepta-4,6-dienyl]formamide?
The canonical SMILES for N-[(4E)-hepta-4,6-dienyl]formamide is C=C/C=C/CCCNC=O.
What is the InChIKey of N-[(4E)-hepta-4,6-dienyl]formamide?
The InChIKey is FVHLWDXYKBNOPY-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-3-4-5-6-7-9-8-10/h2-4,8H,1,5-7H2,(H,9,10)/b4-3+.
What are the key properties of N-[(4E)-hepta-4,6-dienyl]formamide?
N-[(4E)-hepta-4,6-dienyl]formamide has a molecular weight of 139.20 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4E)-hepta-4,6-dienyl]formamide is sourced from PubChem (CID 11521087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).