N-(3-methylbuta-1,2-dienyl)propanamide

C8H13NO — CID 134898093

IUPACN-(3-methylbuta-1,2-dienyl)propanamide
SMILESCCC(=O)NC=C=C(C)C
InChIInChI=1S/C8H13NO/c1-4-8(10)9-6-5-7(2)3/h6H,4H2,1-3H3,(H,9,10)
InChIKeyQYTVENINXWNBPM-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.59
Rot. Bonds2

About N-(3-methylbuta-1,2-dienyl)propanamide

N-(3-methylbuta-1,2-dienyl)propanamide (PubChem CID 134898093) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is N-(3-methylbuta-1,2-dienyl)propanamide.

Molecular Properties

Compound NameN-(3-methylbuta-1,2-dienyl)propanamide
PubChem CID134898093
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC NameN-(3-methylbuta-1,2-dienyl)propanamide
SMILESCCC(=O)NC=C=C(C)C
InChIInChI=1S/C8H13NO/c1-4-8(10)9-6-5-7(2)3/h6H,4H2,1-3H3,(H,9,10)
InChIKeyQYTVENINXWNBPM-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Acetamide, N-(2-methyl-1-propenyl)-
CID 5325884
n-Vinylisobutyramide
CID 9855461
N-Ethenylpropanamide
CID 13548210
2,2-dimethyl-N-(2-methylprop-1-enyl)propanamide
CID 12824753
N-dodeca-1,2,3,4,5,6,7,8,9,10-decaenylacetamide
CID 20700877
N-tridec-1-en-3,5,7,9,11-pentaynylacetamide
CID 59094476
N-(2-methylbut-1-enyl)acetamide
CID 73663671
2-methyl-N-propa-1,2-dienylprop-2-enamide
CID 87554881
N-(2-methylprop-1-enyl)propanamide
CID 88845744
N-[(Z)-3-amino-2-methylprop-1-enyl]acetamide
CID 88944315
N-buta-1,2-dienylacetamide
CID 124014207
N-(2-ethylbut-1-enyl)acetamide
CID 131985982

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbuta-1,2-dienyl)propanamide?
The IUPAC name of N-(3-methylbuta-1,2-dienyl)propanamide (CID 134898093) is N-(3-methylbuta-1,2-dienyl)propanamide.
What is the SMILES notation for N-(3-methylbuta-1,2-dienyl)propanamide?
The canonical SMILES for N-(3-methylbuta-1,2-dienyl)propanamide is CCC(=O)NC=C=C(C)C.
What is the InChIKey of N-(3-methylbuta-1,2-dienyl)propanamide?
The InChIKey is QYTVENINXWNBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-4-8(10)9-6-5-7(2)3/h6H,4H2,1-3H3,(H,9,10).
What are the key properties of N-(3-methylbuta-1,2-dienyl)propanamide?
N-(3-methylbuta-1,2-dienyl)propanamide has a molecular weight of 139.20 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbuta-1,2-dienyl)propanamide is sourced from PubChem (CID 134898093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).