N-but-3-enyl-2-methylpropanamide

C8H15NO — CID 3434507

IUPACN-but-3-enyl-2-methylpropanamide
SMILESC=CCCNC(=O)C(C)C
InChIInChI=1S/C8H15NO/c1-4-5-6-9-8(10)7(2)3/h4,7H,1,5-6H2,2-3H3,(H,9,10)
InChIKeyLQSWGIJFQMTKCM-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.33
Rot. Bonds4

About N-but-3-enyl-2-methylpropanamide

N-but-3-enyl-2-methylpropanamide (PubChem CID 3434507) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is N-but-3-enyl-2-methylpropanamide.

Molecular Properties

Compound NameN-but-3-enyl-2-methylpropanamide
PubChem CID3434507
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC NameN-but-3-enyl-2-methylpropanamide
SMILESC=CCCNC(=O)C(C)C
InChIInChI=1S/C8H15NO/c1-4-5-6-9-8(10)7(2)3/h4,7H,1,5-6H2,2-3H3,(H,9,10)
InChIKeyLQSWGIJFQMTKCM-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-but-3-enyl-2-sulfanylpropanamide
CID 107035126
2-bromo-N-but-3-enylpropanamide
CID 107905743
(2S)-2-amino-N-but-3-enyl-3-methylbutanamide
CID 104861330
2-methyl-N-prop-2-enylpropanamide;dihydrochloride
CID 174572104
N-[2-(hept-6-en-3-ylamino)ethyl]-2-methylpropanamide
CID 115706536
N-[2-[acetyl(prop-2-enyl)amino]ethyl]-2-methylpropanamide
CID 113052235
2-(2-methylpropanoylamino)ethyl prop-2-enoate
CID 45120227
N-but-3-enylbutanamide
CID 54459050
N-ethyl-2-methylpropanamide;molecular hydrogen;prop-1-ene
CID 144853792
2-methyl-N-(6-oxooct-7-enyl)propanamide
CID 58298973
N-(2-chloroethyl)-2-methylpropanamide
CID 21034170
2-methyl-N-(2-sulfanylethyl)propanamide
CID 23374889

Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-2-methylpropanamide?
The IUPAC name of N-but-3-enyl-2-methylpropanamide (CID 3434507) is N-but-3-enyl-2-methylpropanamide.
What is the SMILES notation for N-but-3-enyl-2-methylpropanamide?
The canonical SMILES for N-but-3-enyl-2-methylpropanamide is C=CCCNC(=O)C(C)C.
What is the InChIKey of N-but-3-enyl-2-methylpropanamide?
The InChIKey is LQSWGIJFQMTKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-5-6-9-8(10)7(2)3/h4,7H,1,5-6H2,2-3H3,(H,9,10).
What are the key properties of N-but-3-enyl-2-methylpropanamide?
N-but-3-enyl-2-methylpropanamide has a molecular weight of 141.21 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-2-methylpropanamide is sourced from PubChem (CID 3434507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).