N-but-1-en-2-ylpropanamide

C7H13NO — CID 57039339

IUPACN-but-1-en-2-ylpropanamide
SMILESC=C(CC)NC(=O)CC
InChIInChI=1S/C7H13NO/c1-4-6(3)8-7(9)5-2/h3-5H2,1-2H3,(H,8,9)
InChIKeyXGUWFIMEABYDEH-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.44
Rot. Bonds3

About N-but-1-en-2-ylpropanamide

N-but-1-en-2-ylpropanamide (PubChem CID 57039339) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is N-but-1-en-2-ylpropanamide.

Molecular Properties

Compound NameN-but-1-en-2-ylpropanamide
PubChem CID57039339
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC NameN-but-1-en-2-ylpropanamide
SMILESC=C(CC)NC(=O)CC
InChIInChI=1S/C7H13NO/c1-4-6(3)8-7(9)5-2/h3-5H2,1-2H3,(H,8,9)
InChIKeyXGUWFIMEABYDEH-UHFFFAOYSA-N
XLogP1.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-but-1-en-2-ylpropanamide?
The IUPAC name of N-but-1-en-2-ylpropanamide (CID 57039339) is N-but-1-en-2-ylpropanamide.
What is the SMILES notation for N-but-1-en-2-ylpropanamide?
The canonical SMILES for N-but-1-en-2-ylpropanamide is C=C(CC)NC(=O)CC.
What is the InChIKey of N-but-1-en-2-ylpropanamide?
The InChIKey is XGUWFIMEABYDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-4-6(3)8-7(9)5-2/h3-5H2,1-2H3,(H,8,9).
What are the key properties of N-but-1-en-2-ylpropanamide?
N-but-1-en-2-ylpropanamide has a molecular weight of 127.19 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-1-en-2-ylpropanamide is sourced from PubChem (CID 57039339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).