N-(3-methylbut-1-en-2-yl)propanamide

C8H15NO — CID 144633988

IUPACN-(3-methylbut-1-en-2-yl)propanamide
SMILESC=C(NC(=O)CC)C(C)C
InChIInChI=1S/C8H15NO/c1-5-8(10)9-7(4)6(2)3/h6H,4-5H2,1-3H3,(H,9,10)
InChIKeyKMOWFOPIMTXLGO-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.68
Rot. Bonds3

About N-(3-methylbut-1-en-2-yl)propanamide

N-(3-methylbut-1-en-2-yl)propanamide (PubChem CID 144633988) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is N-(3-methylbut-1-en-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-methylbut-1-en-2-yl)propanamide
PubChem CID144633988
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC NameN-(3-methylbut-1-en-2-yl)propanamide
SMILESC=C(NC(=O)CC)C(C)C
InChIInChI=1S/C8H15NO/c1-5-8(10)9-7(4)6(2)3/h6H,4-5H2,1-3H3,(H,9,10)
InChIKeyKMOWFOPIMTXLGO-UHFFFAOYSA-N
XLogP1.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-propanoylpropanamide
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(Z)-N-(3-methylbut-1-en-2-yl)pent-2-en-3-amine
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2-hydroxy-N-propanoylpropanamide
CID 143049250
N-propan-2-ylpropanamide;dihydrochloride
CID 172679019
N-difluoroboranylpropanamide
CID 174891306
N-(1-sulfanylethyl)propanamide
CID 22119628
N-[ethyl-(propanoylamino)boranyl]propanamide
CID 87079634
N-[1-(methoxymethylamino)ethenyl]propanamide
CID 155347644
(2R)-2-(but-1-en-2-ylamino)propanoic acid
CID 145082166
N-(3-oxobutan-2-yl)propanamide
CID 22943760
aluminum;2-methylpentan-3-one;triiodide
CID 163663533
N-[(3S)-3-methylpent-4-enyl]propanamide
CID 138511725

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbut-1-en-2-yl)propanamide?
The IUPAC name of N-(3-methylbut-1-en-2-yl)propanamide (CID 144633988) is N-(3-methylbut-1-en-2-yl)propanamide.
What is the SMILES notation for N-(3-methylbut-1-en-2-yl)propanamide?
The canonical SMILES for N-(3-methylbut-1-en-2-yl)propanamide is C=C(NC(=O)CC)C(C)C.
What is the InChIKey of N-(3-methylbut-1-en-2-yl)propanamide?
The InChIKey is KMOWFOPIMTXLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-5-8(10)9-7(4)6(2)3/h6H,4-5H2,1-3H3,(H,9,10).
What are the key properties of N-(3-methylbut-1-en-2-yl)propanamide?
N-(3-methylbut-1-en-2-yl)propanamide has a molecular weight of 141.21 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-1-en-2-yl)propanamide is sourced from PubChem (CID 144633988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).