N-but-1-en-2-yl-N-methylpropanamide

C8H15NO — CID 59841328

IUPACN-but-1-en-2-yl-N-methylpropanamide
SMILESC=C(CC)N(C)C(=O)CC
InChIInChI=1S/C8H15NO/c1-5-7(3)9(4)8(10)6-2/h3,5-6H2,1-2,4H3
InChIKeyJBKLRAKIFFXUGJ-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.78
Rot. Bonds3

About N-but-1-en-2-yl-N-methylpropanamide

N-but-1-en-2-yl-N-methylpropanamide (PubChem CID 59841328) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is N-but-1-en-2-yl-N-methylpropanamide.

Molecular Properties

Compound NameN-but-1-en-2-yl-N-methylpropanamide
PubChem CID59841328
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC NameN-but-1-en-2-yl-N-methylpropanamide
SMILESC=C(CC)N(C)C(=O)CC
InChIInChI=1S/C8H15NO/c1-5-7(3)9(4)8(10)6-2/h3,5-6H2,1-2,4H3
InChIKeyJBKLRAKIFFXUGJ-UHFFFAOYSA-N
XLogP1.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-but-1-en-2-yl-N-methylpropanamide?
The IUPAC name of N-but-1-en-2-yl-N-methylpropanamide (CID 59841328) is N-but-1-en-2-yl-N-methylpropanamide.
What is the SMILES notation for N-but-1-en-2-yl-N-methylpropanamide?
The canonical SMILES for N-but-1-en-2-yl-N-methylpropanamide is C=C(CC)N(C)C(=O)CC.
What is the InChIKey of N-but-1-en-2-yl-N-methylpropanamide?
The InChIKey is JBKLRAKIFFXUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-5-7(3)9(4)8(10)6-2/h3,5-6H2,1-2,4H3.
What are the key properties of N-but-1-en-2-yl-N-methylpropanamide?
N-but-1-en-2-yl-N-methylpropanamide has a molecular weight of 141.21 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-1-en-2-yl-N-methylpropanamide is sourced from PubChem (CID 59841328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).