(2E)-5-methyl-N-propan-2-ylhexa-2,4-dienamide

C10H17NO — CID 5325896

IUPAC(2E)-5-methyl-N-propan-2-ylhexa-2,4-dienamide
SMILESCC(C)=C/C=C/C(=O)NC(C)C
InChIInChI=1S/C10H17NO/c1-8(2)6-5-7-10(12)11-9(3)4/h5-7,9H,1-4H3,(H,11,12)/b7-5+
InChIKeyADMFFCKLASXIJL-FNORWQNLSA-N
MW167.25 g/mol
LogP2.03
Rot. Bonds3

About (2E)-5-methyl-N-propan-2-ylhexa-2,4-dienamide

(2E)-5-methyl-N-propan-2-ylhexa-2,4-dienamide (PubChem CID 5325896) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (2E)-5-methyl-N-propan-2-ylhexa-2,4-dienamide.

Molecular Properties

Compound Name(2E)-5-methyl-N-propan-2-ylhexa-2,4-dienamide
PubChem CID5325896
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(2E)-5-methyl-N-propan-2-ylhexa-2,4-dienamide
SMILESCC(C)=C/C=C/C(=O)NC(C)C
InChIInChI=1S/C10H17NO/c1-8(2)6-5-7-10(12)11-9(3)4/h5-7,9H,1-4H3,(H,11,12)/b7-5+
InChIKeyADMFFCKLASXIJL-FNORWQNLSA-N
XLogP2.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-N-(2-methylpropyl)hexa-2,4-dienamide
CID 13405139
(2E,4E,8Z,10E,12E)-N-propan-2-yltetradeca-2,4,8,10,12-pentaenamide
CID 5321102
N-(2-Methylpropyl)hexa-2,4-dienamide
CID 71375318
N-Ethyl-2E,4E-hexadienamide
CID 11434990
(2E,4E)-N-propylhexa-2,4-dienamide
CID 44443272
(2E,4E,8E)-N-butan-2-yldeca-2,4,8-trienamide
CID 6433895
(2E,4E)-5,9-dimethyl-N-propan-2-yldeca-2,4,8-trienamide
CID 44561467
Sarmentosamide
CID 139584912
(E)-N,N'-diisopropylbut-2-enediamide
CID 24973364
2-Butenamide, N-isopropyl
CID 11147721
(E)-N-(2-methylprop-2-enyl)but-2-enamide
CID 114615984
(2E,4E)-N-(2-methylprop-2-enyl)hexa-2,4-dienamide
CID 177638361

Frequently Asked Questions

What is the IUPAC name of (2E)-5-methyl-N-propan-2-ylhexa-2,4-dienamide?
The IUPAC name of (2E)-5-methyl-N-propan-2-ylhexa-2,4-dienamide (CID 5325896) is (2E)-5-methyl-N-propan-2-ylhexa-2,4-dienamide.
What is the SMILES notation for (2E)-5-methyl-N-propan-2-ylhexa-2,4-dienamide?
The canonical SMILES for (2E)-5-methyl-N-propan-2-ylhexa-2,4-dienamide is CC(C)=C/C=C/C(=O)NC(C)C.
What is the InChIKey of (2E)-5-methyl-N-propan-2-ylhexa-2,4-dienamide?
The InChIKey is ADMFFCKLASXIJL-FNORWQNLSA-N. The full InChI is InChI=1S/C10H17NO/c1-8(2)6-5-7-10(12)11-9(3)4/h5-7,9H,1-4H3,(H,11,12)/b7-5+.
What are the key properties of (2E)-5-methyl-N-propan-2-ylhexa-2,4-dienamide?
(2E)-5-methyl-N-propan-2-ylhexa-2,4-dienamide has a molecular weight of 167.25 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5-methyl-N-propan-2-ylhexa-2,4-dienamide is sourced from PubChem (CID 5325896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).