N,N-dimethylhexa-4,5-dienamide

C8H13NO — CID 11804836

IUPACN,N-dimethylhexa-4,5-dienamide
SMILESC=C=CCCC(=O)N(C)C
InChIInChI=1S/C8H13NO/c1-4-5-6-7-8(10)9(2)3/h5H,1,6-7H2,2-3H3
InChIKeyAEKPADGYPGWFMZ-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.20
Rot. Bonds3

About N,N-dimethylhexa-4,5-dienamide

N,N-dimethylhexa-4,5-dienamide (PubChem CID 11804836) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is N,N-dimethylhexa-4,5-dienamide.

Molecular Properties

Compound NameN,N-dimethylhexa-4,5-dienamide
PubChem CID11804836
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC NameN,N-dimethylhexa-4,5-dienamide
SMILESC=C=CCCC(=O)N(C)C
InChIInChI=1S/C8H13NO/c1-4-5-6-7-8(10)9(2)3/h5H,1,6-7H2,2-3H3
InChIKeyAEKPADGYPGWFMZ-UHFFFAOYSA-N
XLogP1.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylhexa-4,5-dienamide?
The IUPAC name of N,N-dimethylhexa-4,5-dienamide (CID 11804836) is N,N-dimethylhexa-4,5-dienamide.
What is the SMILES notation for N,N-dimethylhexa-4,5-dienamide?
The canonical SMILES for N,N-dimethylhexa-4,5-dienamide is C=C=CCCC(=O)N(C)C.
What is the InChIKey of N,N-dimethylhexa-4,5-dienamide?
The InChIKey is AEKPADGYPGWFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-4-5-6-7-8(10)9(2)3/h5H,1,6-7H2,2-3H3.
What are the key properties of N,N-dimethylhexa-4,5-dienamide?
N,N-dimethylhexa-4,5-dienamide has a molecular weight of 139.20 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylhexa-4,5-dienamide is sourced from PubChem (CID 11804836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).