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

C8H15NO2 — CID 127125502

IUPAC(E)-N-(3-hydroxypropyl)pent-2-enamide
SMILESCC/C=C/C(=O)NCCCO
InChIInChI=1S/C8H15NO2/c1-2-3-5-8(11)9-6-4-7-10/h3,5,10H,2,4,6-7H2,1H3,(H,9,11)/b5-3+
InChIKeyFCTKXDMEFMTTPJ-HWKANZROSA-N
MW157.21 g/mol
LogP0.45
Rot. Bonds5

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

(E)-N-(3-hydroxypropyl)pent-2-enamide (PubChem CID 127125502) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (E)-N-(3-hydroxypropyl)pent-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-hydroxypropyl)pent-2-enamide
PubChem CID127125502
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(E)-N-(3-hydroxypropyl)pent-2-enamide
SMILESCC/C=C/C(=O)NCCCO
InChIInChI=1S/C8H15NO2/c1-2-3-5-8(11)9-6-4-7-10/h3,5,10H,2,4,6-7H2,1H3,(H,9,11)/b5-3+
InChIKeyFCTKXDMEFMTTPJ-HWKANZROSA-N
XLogP0.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.45
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)pent-2-enamide?
The IUPAC name of (E)-N-(3-hydroxypropyl)pent-2-enamide (CID 127125502) is (E)-N-(3-hydroxypropyl)pent-2-enamide.
What is the SMILES notation for (E)-N-(3-hydroxypropyl)pent-2-enamide?
The canonical SMILES for (E)-N-(3-hydroxypropyl)pent-2-enamide is CC/C=C/C(=O)NCCCO.
What is the InChIKey of (E)-N-(3-hydroxypropyl)pent-2-enamide?
The InChIKey is FCTKXDMEFMTTPJ-HWKANZROSA-N. The full InChI is InChI=1S/C8H15NO2/c1-2-3-5-8(11)9-6-4-7-10/h3,5,10H,2,4,6-7H2,1H3,(H,9,11)/b5-3+.
What are the key properties of (E)-N-(3-hydroxypropyl)pent-2-enamide?
(E)-N-(3-hydroxypropyl)pent-2-enamide has a molecular weight of 157.21 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-hydroxypropyl)pent-2-enamide is sourced from PubChem (CID 127125502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).