N-(1-hydroxypropan-2-yl)pent-4-enamide

C8H15NO2 — CID 62677592

IUPACN-(1-hydroxypropan-2-yl)pent-4-enamide
SMILESC=CCCC(=O)NC(C)CO
InChIInChI=1S/C8H15NO2/c1-3-4-5-8(11)9-7(2)6-10/h3,7,10H,1,4-6H2,2H3,(H,9,11)
InChIKeyFASPVIHKPUKPSM-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.45
Rot. Bonds5

About N-(1-hydroxypropan-2-yl)pent-4-enamide

N-(1-hydroxypropan-2-yl)pent-4-enamide (PubChem CID 62677592) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)pent-4-enamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)pent-4-enamide
PubChem CID62677592
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC NameN-(1-hydroxypropan-2-yl)pent-4-enamide
SMILESC=CCCC(=O)NC(C)CO
InChIInChI=1S/C8H15NO2/c1-3-4-5-8(11)9-7(2)6-10/h3,7,10H,1,4-6H2,2H3,(H,9,11)
InChIKeyFASPVIHKPUKPSM-UHFFFAOYSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)pent-4-enamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)pent-4-enamide (CID 62677592) is N-(1-hydroxypropan-2-yl)pent-4-enamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)pent-4-enamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)pent-4-enamide is C=CCCC(=O)NC(C)CO.
What is the InChIKey of N-(1-hydroxypropan-2-yl)pent-4-enamide?
The InChIKey is FASPVIHKPUKPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-4-5-8(11)9-7(2)6-10/h3,7,10H,1,4-6H2,2H3,(H,9,11).
What are the key properties of N-(1-hydroxypropan-2-yl)pent-4-enamide?
N-(1-hydroxypropan-2-yl)pent-4-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 N-(1-hydroxypropan-2-yl)pent-4-enamide is sourced from PubChem (CID 62677592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).