N-[(E)-but-2-enyl]propanamide

C7H13NO — CID 20565290

IUPACN-[(E)-but-2-enyl]propanamide
SMILESC/C=C/CNC(=O)CC
InChIInChI=1S/C7H13NO/c1-3-5-6-8-7(9)4-2/h3,5H,4,6H2,1-2H3,(H,8,9)/b5-3+
InChIKeyPXMVIPJLQYTGDX-HWKANZROSA-N
MW127.19 g/mol
LogP1.09
Rot. Bonds3

About N-[(E)-but-2-enyl]propanamide

N-[(E)-but-2-enyl]propanamide (PubChem CID 20565290) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]propanamide.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]propanamide
PubChem CID20565290
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC NameN-[(E)-but-2-enyl]propanamide
SMILESC/C=C/CNC(=O)CC
InChIInChI=1S/C7H13NO/c1-3-5-6-8-7(9)4-2/h3,5H,4,6H2,1-2H3,(H,8,9)/b5-3+
InChIKeyPXMVIPJLQYTGDX-HWKANZROSA-N
XLogP1.09
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 ≤ 51.09
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

N-Allylacetamide
CID 69653
Allylacrylamide
CID 95149
n-Butyl-2-propenamide
CID 642908
N-(n-Propyl) acrylamide
CID 114794
2-cyano-N-(prop-2-en-1-yl)acetamide
CID 350599
N-Ethyl acrylamide
CID 9793705
N-Allylmethacrylamide
CID 75139
(2E,4E)-N-propylhexa-2,4-dienamide
CID 44443272
N-(2-methylprop-2-enyl)acetamide
CID 299750
2-Butenamide, N-2-propenyl-
CID 5354840
(E)-N-(2-methylpropyl)but-2-enamide
CID 10975585
N-(2-methylprop-2-enyl)prop-2-enamide
CID 15570308

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]propanamide?
The IUPAC name of N-[(E)-but-2-enyl]propanamide (CID 20565290) is N-[(E)-but-2-enyl]propanamide.
What is the SMILES notation for N-[(E)-but-2-enyl]propanamide?
The canonical SMILES for N-[(E)-but-2-enyl]propanamide is C/C=C/CNC(=O)CC.
What is the InChIKey of N-[(E)-but-2-enyl]propanamide?
The InChIKey is PXMVIPJLQYTGDX-HWKANZROSA-N. The full InChI is InChI=1S/C7H13NO/c1-3-5-6-8-7(9)4-2/h3,5H,4,6H2,1-2H3,(H,8,9)/b5-3+.
What are the key properties of N-[(E)-but-2-enyl]propanamide?
N-[(E)-but-2-enyl]propanamide has a molecular weight of 127.19 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]propanamide is sourced from PubChem (CID 20565290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).