N-[(1E,3E)-2-methylpenta-1,3-dienyl]acetamide

C8H13NO — CID 11499230

IUPACN-[(1E,3E)-2-methylpenta-1,3-dienyl]acetamide
SMILESC/C=C/C(C)=C/NC(C)=O
InChIInChI=1S/C8H13NO/c1-4-5-7(2)6-9-8(3)10/h4-6H,1-3H3,(H,9,10)/b5-4+,7-6+
InChIKeyMPCXNAKWJOGCCJ-YTXTXJHMSA-N
MW139.20 g/mol
LogP1.60
Rot. Bonds2

About N-[(1E,3E)-2-methylpenta-1,3-dienyl]acetamide

N-[(1E,3E)-2-methylpenta-1,3-dienyl]acetamide (PubChem CID 11499230) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is N-[(1E,3E)-2-methylpenta-1,3-dienyl]acetamide.

Molecular Properties

Compound NameN-[(1E,3E)-2-methylpenta-1,3-dienyl]acetamide
PubChem CID11499230
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC NameN-[(1E,3E)-2-methylpenta-1,3-dienyl]acetamide
SMILESC/C=C/C(C)=C/NC(C)=O
InChIInChI=1S/C8H13NO/c1-4-5-7(2)6-9-8(3)10/h4-6H,1-3H3,(H,9,10)/b5-4+,7-6+
InChIKeyMPCXNAKWJOGCCJ-YTXTXJHMSA-N
XLogP1.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1E,3E)-2-methylpenta-1,3-dienyl]acetamide?
The IUPAC name of N-[(1E,3E)-2-methylpenta-1,3-dienyl]acetamide (CID 11499230) is N-[(1E,3E)-2-methylpenta-1,3-dienyl]acetamide.
What is the SMILES notation for N-[(1E,3E)-2-methylpenta-1,3-dienyl]acetamide?
The canonical SMILES for N-[(1E,3E)-2-methylpenta-1,3-dienyl]acetamide is C/C=C/C(C)=C/NC(C)=O.
What is the InChIKey of N-[(1E,3E)-2-methylpenta-1,3-dienyl]acetamide?
The InChIKey is MPCXNAKWJOGCCJ-YTXTXJHMSA-N. The full InChI is InChI=1S/C8H13NO/c1-4-5-7(2)6-9-8(3)10/h4-6H,1-3H3,(H,9,10)/b5-4+,7-6+.
What are the key properties of N-[(1E,3E)-2-methylpenta-1,3-dienyl]acetamide?
N-[(1E,3E)-2-methylpenta-1,3-dienyl]acetamide has a molecular weight of 139.20 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3E)-2-methylpenta-1,3-dienyl]acetamide is sourced from PubChem (CID 11499230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).