(E)-2-methylhex-4-enamide

C7H13NO — CID 126589197

IUPAC(E)-2-methylhex-4-enamide
SMILESC/C=C/CC(C)C(N)=O
InChIInChI=1S/C7H13NO/c1-3-4-5-6(2)7(8)9/h3-4,6H,5H2,1-2H3,(H2,8,9)/b4-3+
InChIKeyYJFDVVPOCPBPPO-ONEGZZNKSA-N
MW127.19 g/mol
LogP1.07
Rot. Bonds3

About (E)-2-methylhex-4-enamide

(E)-2-methylhex-4-enamide (PubChem CID 126589197) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (E)-2-methylhex-4-enamide.

Molecular Properties

Compound Name(E)-2-methylhex-4-enamide
PubChem CID126589197
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(E)-2-methylhex-4-enamide
SMILESC/C=C/CC(C)C(N)=O
InChIInChI=1S/C7H13NO/c1-3-4-5-6(2)7(8)9/h3-4,6H,5H2,1-2H3,(H2,8,9)/b4-3+
InChIKeyYJFDVVPOCPBPPO-ONEGZZNKSA-N
XLogP1.07
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-methyloct-6-en-3-one
CID 73301984
calcium;hydride;3-methylhept-5-en-2-one
CID 175109385
2-methylpropyl 2-methylhex-4-enoate
CID 141352249
(E,3S,4R)-3,4-dimethyloct-6-enamide
CID 89087152
2-methylnon-7-enamide
CID 142782091
(E)-2-(dimethylamino)-4-methyloct-6-enamide
CID 144611499
4-imino-2-methylbutanamide
CID 174442854
dipropan-2-yl 2-[(E)-but-2-enyl]propanedioate
CID 103972693
(E)-2,4-dimethyloct-6-enoic acid
CID 155168823
(Z,2S)-2-aminohex-4-enoic acid
CID 91998876
(3R,5R)-3-(dimethylamino)-5-methylnon-7-ene-2,4-dione
CID 173380508
(2S,4R)-4-methyl-2-(methylamino)-3-oxooct-6-enoic acid
CID 91288765

Frequently Asked Questions

What is the IUPAC name of (E)-2-methylhex-4-enamide?
The IUPAC name of (E)-2-methylhex-4-enamide (CID 126589197) is (E)-2-methylhex-4-enamide.
What is the SMILES notation for (E)-2-methylhex-4-enamide?
The canonical SMILES for (E)-2-methylhex-4-enamide is C/C=C/CC(C)C(N)=O.
What is the InChIKey of (E)-2-methylhex-4-enamide?
The InChIKey is YJFDVVPOCPBPPO-ONEGZZNKSA-N. The full InChI is InChI=1S/C7H13NO/c1-3-4-5-6(2)7(8)9/h3-4,6H,5H2,1-2H3,(H2,8,9)/b4-3+.
What are the key properties of (E)-2-methylhex-4-enamide?
(E)-2-methylhex-4-enamide has a molecular weight of 127.19 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methylhex-4-enamide is sourced from PubChem (CID 126589197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).