2-methyl-N-[(2R)-3-methylbut-3-en-2-yl]propanamide

C9H17NO — CID 167135190

IUPAC2-methyl-N-[(2R)-3-methylbut-3-en-2-yl]propanamide
SMILESC=C(C)[C@@H](C)NC(=O)C(C)C
InChIInChI=1S/C9H17NO/c1-6(2)8(5)10-9(11)7(3)4/h7-8H,1H2,2-5H3,(H,10,11)/t8-/m1/s1
InChIKeyQSPCZMSDUITZJG-MRVPVSSYSA-N
MW155.24 g/mol
LogP1.72
Rot. Bonds3

About 2-methyl-N-[(2R)-3-methylbut-3-en-2-yl]propanamide

2-methyl-N-[(2R)-3-methylbut-3-en-2-yl]propanamide (PubChem CID 167135190) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-methyl-N-[(2R)-3-methylbut-3-en-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(2R)-3-methylbut-3-en-2-yl]propanamide
PubChem CID167135190
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-methyl-N-[(2R)-3-methylbut-3-en-2-yl]propanamide
SMILESC=C(C)[C@@H](C)NC(=O)C(C)C
InChIInChI=1S/C9H17NO/c1-6(2)8(5)10-9(11)7(3)4/h7-8H,1H2,2-5H3,(H,10,11)/t8-/m1/s1
InChIKeyQSPCZMSDUITZJG-MRVPVSSYSA-N
XLogP1.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.72
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-methyl-N-[(2R)-3-oxobutan-2-yl]propanamide
CID 90262242
2-methyl-N-[1-[[1-[[1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 71340573
2-methyl-N-(3-oxopentan-2-yl)propanamide
CID 64991731
2-methyl-N-(3-methylbut-3-enyl)propanamide
CID 59532958
2-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]propanamide
CID 60659584
N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-methylpropanamide
CID 115599512
tert-butyl 2-(2-methylpropanoylamino)propanoate
CID 76825480
tert-butyl (2S)-2-(2-methylpropanoylamino)propanoate
CID 58591694
N-(1-hydroxy-2-methylpropyl)-2-methylpropanamide
CID 88555810
N-[(2S,5R)-5,7-dimethyl-3,6-dioxooctan-2-yl]-2-methylpropanamide
CID 159866906
2-methyl-N-[2,2,3,3,4,4,5,5-octafluoro-6-(3-methylbut-3-en-2-ylamino)hexyl]propanamide
CID 162586471
2-amino-3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide
CID 88930533

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2R)-3-methylbut-3-en-2-yl]propanamide?
The IUPAC name of 2-methyl-N-[(2R)-3-methylbut-3-en-2-yl]propanamide (CID 167135190) is 2-methyl-N-[(2R)-3-methylbut-3-en-2-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[(2R)-3-methylbut-3-en-2-yl]propanamide?
The canonical SMILES for 2-methyl-N-[(2R)-3-methylbut-3-en-2-yl]propanamide is C=C(C)[C@@H](C)NC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-[(2R)-3-methylbut-3-en-2-yl]propanamide?
The InChIKey is QSPCZMSDUITZJG-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17NO/c1-6(2)8(5)10-9(11)7(3)4/h7-8H,1H2,2-5H3,(H,10,11)/t8-/m1/s1.
What are the key properties of 2-methyl-N-[(2R)-3-methylbut-3-en-2-yl]propanamide?
2-methyl-N-[(2R)-3-methylbut-3-en-2-yl]propanamide has a molecular weight of 155.24 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2R)-3-methylbut-3-en-2-yl]propanamide is sourced from PubChem (CID 167135190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).