N-(6-iminohexa-4,5-dienyl)butanamide

C10H16N2O — CID 167168685

IUPACN-(6-iminohexa-4,5-dienyl)butanamide
SMILESCCCC(=O)NCCCC=C=C=N
InChIInChI=1S/C10H16N2O/c1-2-7-10(13)12-9-6-4-3-5-8-11/h3,11H,2,4,6-7,9H2,1H3,(H,12,13)
InChIKeySVNXJIBMCQIOKB-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.64
Rot. Bonds6

About N-(6-iminohexa-4,5-dienyl)butanamide

N-(6-iminohexa-4,5-dienyl)butanamide (PubChem CID 167168685) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N-(6-iminohexa-4,5-dienyl)butanamide.

Molecular Properties

Compound NameN-(6-iminohexa-4,5-dienyl)butanamide
PubChem CID167168685
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN-(6-iminohexa-4,5-dienyl)butanamide
SMILESCCCC(=O)NCCCC=C=C=N
InChIInChI=1S/C10H16N2O/c1-2-7-10(13)12-9-6-4-3-5-8-11/h3,11H,2,4,6-7,9H2,1H3,(H,12,13)
InChIKeySVNXJIBMCQIOKB-UHFFFAOYSA-N
XLogP1.64
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-iminohexa-4,5-dienyl)butanamide?
The IUPAC name of N-(6-iminohexa-4,5-dienyl)butanamide (CID 167168685) is N-(6-iminohexa-4,5-dienyl)butanamide.
What is the SMILES notation for N-(6-iminohexa-4,5-dienyl)butanamide?
The canonical SMILES for N-(6-iminohexa-4,5-dienyl)butanamide is CCCC(=O)NCCCC=C=C=N.
What is the InChIKey of N-(6-iminohexa-4,5-dienyl)butanamide?
The InChIKey is SVNXJIBMCQIOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-2-7-10(13)12-9-6-4-3-5-8-11/h3,11H,2,4,6-7,9H2,1H3,(H,12,13).
What are the key properties of N-(6-iminohexa-4,5-dienyl)butanamide?
N-(6-iminohexa-4,5-dienyl)butanamide has a molecular weight of 180.25 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-iminohexa-4,5-dienyl)butanamide is sourced from PubChem (CID 167168685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).