N-(3-methylbut-3-enyl)propanamide

C8H15NO — CID 89197899

IUPACN-(3-methylbut-3-enyl)propanamide
SMILESC=C(C)CCNC(=O)CC
InChIInChI=1S/C8H15NO/c1-4-8(10)9-6-5-7(2)3/h2,4-6H2,1,3H3,(H,9,10)
InChIKeyAAXDOOLOAQAYQX-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.48
Rot. Bonds4

About N-(3-methylbut-3-enyl)propanamide

N-(3-methylbut-3-enyl)propanamide (PubChem CID 89197899) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is N-(3-methylbut-3-enyl)propanamide.

Molecular Properties

Compound NameN-(3-methylbut-3-enyl)propanamide
PubChem CID89197899
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC NameN-(3-methylbut-3-enyl)propanamide
SMILESC=C(C)CCNC(=O)CC
InChIInChI=1S/C8H15NO/c1-4-8(10)9-6-5-7(2)3/h2,4-6H2,1,3H3,(H,9,10)
InChIKeyAAXDOOLOAQAYQX-UHFFFAOYSA-N
XLogP1.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.48
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

2-cyano-N-(3-methylbut-3-enyl)acetamide
CID 131228033
N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 115700214
2-(3-methylbut-3-enylamino)-2-oxoacetic acid
CID 131228066
2-methyl-N-(3-methylbut-3-enyl)propanamide
CID 59532958
molecular hydrogen;N-(3-oxopentyl)propanamide
CID 142546391
N-(3-amino-3-sulfanylidenepropyl)propanamide
CID 62665728
N-[2-(3-oxobutoxy)ethyl]propanamide
CID 170259518
N-(12-oxotridecyl)propanamide
CID 171540592
N-(2-phosphanylethyl)propanamide
CID 146644677
N-[2-(propanoylamino)ethyl]pentanamide
CID 108542545
N-[2-(carbamoylamino)ethyl]propanamide
CID 78993883
N-(2-oxopropyl)propanamide
CID 23550155

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbut-3-enyl)propanamide?
The IUPAC name of N-(3-methylbut-3-enyl)propanamide (CID 89197899) is N-(3-methylbut-3-enyl)propanamide.
What is the SMILES notation for N-(3-methylbut-3-enyl)propanamide?
The canonical SMILES for N-(3-methylbut-3-enyl)propanamide is C=C(C)CCNC(=O)CC.
What is the InChIKey of N-(3-methylbut-3-enyl)propanamide?
The InChIKey is AAXDOOLOAQAYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-8(10)9-6-5-7(2)3/h2,4-6H2,1,3H3,(H,9,10).
What are the key properties of N-(3-methylbut-3-enyl)propanamide?
N-(3-methylbut-3-enyl)propanamide has a molecular weight of 141.21 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-3-enyl)propanamide is sourced from PubChem (CID 89197899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).