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

C8H15NO2 — CID 174776324

IUPACN-(3-hydroxypropyl)pent-2-enamide
SMILESCCC=CC(=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)
InChIKeyFCTKXDMEFMTTPJ-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.45
Rot. Bonds5

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

N-(3-hydroxypropyl)pent-2-enamide (PubChem CID 174776324) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is N-(3-hydroxypropyl)pent-2-enamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)pent-2-enamide
PubChem CID174776324
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC NameN-(3-hydroxypropyl)pent-2-enamide
SMILESCCC=CC(=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)
InChIKeyFCTKXDMEFMTTPJ-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(3-hydroxypropyl)dodec-2-enediamide
CID 54010155
(E)-N-[3-[3-hydroxypropyl-[3-[[(E)-oct-2-enoyl]amino]propyl]amino]propyl]oct-2-enamide
CID 101285798
N-(3-hydroxypropyl)prop-2-enamide
CID 87194577
(E)-4-(4-hydroxybutylamino)-4-oxobut-2-enoic acid
CID 106840396
(E)-N-(cyanomethyl)pent-2-enamide
CID 131236211
(E)-N-butyldec-2-enamide
CID 160628271
(E)-N-hydroxypent-2-enamide
CID 87376694
(E)-N,N'-bis(4-hydroxybutyl)dodec-2-enediamide
CID 19606629
(E)-N-[3-[methyl-[3-[[(E)-oct-2-enoyl]amino]propyl]amino]propyl]oct-2-enamide
CID 102116540
(E)-N-butyl-6-chlorohex-2-enamide
CID 154707012
N-propylhex-2-enamide
CID 88538823
N-[2-(icos-2-enoylamino)ethyl]icos-2-enamide
CID 87333364

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)pent-2-enamide?
The IUPAC name of N-(3-hydroxypropyl)pent-2-enamide (CID 174776324) is N-(3-hydroxypropyl)pent-2-enamide.
What is the SMILES notation for N-(3-hydroxypropyl)pent-2-enamide?
The canonical SMILES for N-(3-hydroxypropyl)pent-2-enamide is CCC=CC(=O)NCCCO.
What is the InChIKey of N-(3-hydroxypropyl)pent-2-enamide?
The InChIKey is FCTKXDMEFMTTPJ-UHFFFAOYSA-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).
What are the key properties of N-(3-hydroxypropyl)pent-2-enamide?
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 N-(3-hydroxypropyl)pent-2-enamide is sourced from PubChem (CID 174776324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).