(E)-N-(3-hydroxypropyl)but-2-enamide

C7H13NO2 — CID 43419279

IUPAC(E)-N-(3-hydroxypropyl)but-2-enamide
SMILESC/C=C/C(=O)NCCCO
InChIInChI=1S/C7H13NO2/c1-2-4-7(10)8-5-3-6-9/h2,4,9H,3,5-6H2,1H3,(H,8,10)/b4-2+
InChIKeyBVXIZCSNYUWQRY-DUXPYHPUSA-N
MW143.19 g/mol
LogP0.06
Rot. Bonds4

About (E)-N-(3-hydroxypropyl)but-2-enamide

(E)-N-(3-hydroxypropyl)but-2-enamide (PubChem CID 43419279) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (E)-N-(3-hydroxypropyl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-hydroxypropyl)but-2-enamide
PubChem CID43419279
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(E)-N-(3-hydroxypropyl)but-2-enamide
SMILESC/C=C/C(=O)NCCCO
InChIInChI=1S/C7H13NO2/c1-2-4-7(10)8-5-3-6-9/h2,4,9H,3,5-6H2,1H3,(H,8,10)/b4-2+
InChIKeyBVXIZCSNYUWQRY-DUXPYHPUSA-N
XLogP0.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-hydroxypropyl)but-2-enamide?
The IUPAC name of (E)-N-(3-hydroxypropyl)but-2-enamide (CID 43419279) is (E)-N-(3-hydroxypropyl)but-2-enamide.
What is the SMILES notation for (E)-N-(3-hydroxypropyl)but-2-enamide?
The canonical SMILES for (E)-N-(3-hydroxypropyl)but-2-enamide is C/C=C/C(=O)NCCCO.
What is the InChIKey of (E)-N-(3-hydroxypropyl)but-2-enamide?
The InChIKey is BVXIZCSNYUWQRY-DUXPYHPUSA-N. The full InChI is InChI=1S/C7H13NO2/c1-2-4-7(10)8-5-3-6-9/h2,4,9H,3,5-6H2,1H3,(H,8,10)/b4-2+.
What are the key properties of (E)-N-(3-hydroxypropyl)but-2-enamide?
(E)-N-(3-hydroxypropyl)but-2-enamide has a molecular weight of 143.19 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-hydroxypropyl)but-2-enamide is sourced from PubChem (CID 43419279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).