N-ethyl-N-propylbut-3-enamide

C9H17NO — CID 57102973

IUPACN-ethyl-N-propylbut-3-enamide
SMILESC=CCC(=O)N(CC)CCC
InChIInChI=1S/C9H17NO/c1-4-7-9(11)10(6-3)8-5-2/h4H,1,5-8H2,2-3H3
InChIKeyJPDPGHHFHOWLRD-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.82
Rot. Bonds5

About N-ethyl-N-propylbut-3-enamide

N-ethyl-N-propylbut-3-enamide (PubChem CID 57102973) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-ethyl-N-propylbut-3-enamide.

Molecular Properties

Compound NameN-ethyl-N-propylbut-3-enamide
PubChem CID57102973
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-ethyl-N-propylbut-3-enamide
SMILESC=CCC(=O)N(CC)CCC
InChIInChI=1S/C9H17NO/c1-4-7-9(11)10(6-3)8-5-2/h4H,1,5-8H2,2-3H3
InChIKeyJPDPGHHFHOWLRD-UHFFFAOYSA-N
XLogP1.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-propylbut-3-enamide?
The IUPAC name of N-ethyl-N-propylbut-3-enamide (CID 57102973) is N-ethyl-N-propylbut-3-enamide.
What is the SMILES notation for N-ethyl-N-propylbut-3-enamide?
The canonical SMILES for N-ethyl-N-propylbut-3-enamide is C=CCC(=O)N(CC)CCC.
What is the InChIKey of N-ethyl-N-propylbut-3-enamide?
The InChIKey is JPDPGHHFHOWLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-7-9(11)10(6-3)8-5-2/h4H,1,5-8H2,2-3H3.
What are the key properties of N-ethyl-N-propylbut-3-enamide?
N-ethyl-N-propylbut-3-enamide has a molecular weight of 155.24 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-propylbut-3-enamide is sourced from PubChem (CID 57102973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).