4-methylhepta-2,5-dienediamide

C8H12N2O2 — CID 54037507

IUPAC4-methylhepta-2,5-dienediamide
SMILESCC(C=CC(N)=O)C=CC(N)=O
InChIInChI=1S/C8H12N2O2/c1-6(2-4-7(9)11)3-5-8(10)12/h2-6H,1H3,(H2,9,11)(H2,10,12)
InChIKeyLJZSJEIFXXKABY-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.29
Rot. Bonds4

About 4-methylhepta-2,5-dienediamide

4-methylhepta-2,5-dienediamide (PubChem CID 54037507) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 4-methylhepta-2,5-dienediamide.

Molecular Properties

Compound Name4-methylhepta-2,5-dienediamide
PubChem CID54037507
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name4-methylhepta-2,5-dienediamide
SMILESCC(C=CC(N)=O)C=CC(N)=O
InChIInChI=1S/C8H12N2O2/c1-6(2-4-7(9)11)3-5-8(10)12/h2-6H,1H3,(H2,9,11)(H2,10,12)
InChIKeyLJZSJEIFXXKABY-UHFFFAOYSA-N
XLogP-0.29
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-aminopent-2-enamide
CID 90746791
(E)-4-iodopent-2-enamide
CID 88928240
4-acetylhepta-2,5-dienediamide
CID 57261872
(E)-4-hydroxy-4-(methylamino)but-2-enamide
CID 176557926
(E)-but-2-enamide;ethane
CID 145356551
(Z)-but-2-enamide;(E)-but-2-enamide;methane
CID 163931576
6-methylhept-2-enamide
CID 130247366
bis(4-amino-4-oxobut-2-enoic acid);propane-1,2-diol
CID 173054168
(E)-3-methyl-2-oxohex-4-enamide
CID 147197281
4-(3-methylphenyl)hepta-2,5-dienediamide
CID 54086053
(E)-4-oxohex-2-enamide
CID 153226355
3-hydroxyprop-2-enamide;hydrochloride
CID 87220592

Frequently Asked Questions

What is the IUPAC name of 4-methylhepta-2,5-dienediamide?
The IUPAC name of 4-methylhepta-2,5-dienediamide (CID 54037507) is 4-methylhepta-2,5-dienediamide.
What is the SMILES notation for 4-methylhepta-2,5-dienediamide?
The canonical SMILES for 4-methylhepta-2,5-dienediamide is CC(C=CC(N)=O)C=CC(N)=O.
What is the InChIKey of 4-methylhepta-2,5-dienediamide?
The InChIKey is LJZSJEIFXXKABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-6(2-4-7(9)11)3-5-8(10)12/h2-6H,1H3,(H2,9,11)(H2,10,12).
What are the key properties of 4-methylhepta-2,5-dienediamide?
4-methylhepta-2,5-dienediamide has a molecular weight of 168.20 g/mol, XLogP of -0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylhepta-2,5-dienediamide is sourced from PubChem (CID 54037507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).