N-hydroxy-N-propan-2-ylpent-4-enamide

C8H15NO2 — CID 11367147

IUPACN-hydroxy-N-propan-2-ylpent-4-enamide
SMILESC=CCCC(=O)N(O)C(C)C
InChIInChI=1S/C8H15NO2/c1-4-5-6-8(10)9(11)7(2)3/h4,7,11H,1,5-6H2,2-3H3
InChIKeyYRBBREJMSDBBKB-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.58
Rot. Bonds4

About N-hydroxy-N-propan-2-ylpent-4-enamide

N-hydroxy-N-propan-2-ylpent-4-enamide (PubChem CID 11367147) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is N-hydroxy-N-propan-2-ylpent-4-enamide.

Molecular Properties

Compound NameN-hydroxy-N-propan-2-ylpent-4-enamide
PubChem CID11367147
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC NameN-hydroxy-N-propan-2-ylpent-4-enamide
SMILESC=CCCC(=O)N(O)C(C)C
InChIInChI=1S/C8H15NO2/c1-4-5-6-8(10)9(11)7(2)3/h4,7,11H,1,5-6H2,2-3H3
InChIKeyYRBBREJMSDBBKB-UHFFFAOYSA-N
XLogP1.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-propan-2-ylpent-4-enamide?
The IUPAC name of N-hydroxy-N-propan-2-ylpent-4-enamide (CID 11367147) is N-hydroxy-N-propan-2-ylpent-4-enamide.
What is the SMILES notation for N-hydroxy-N-propan-2-ylpent-4-enamide?
The canonical SMILES for N-hydroxy-N-propan-2-ylpent-4-enamide is C=CCCC(=O)N(O)C(C)C.
What is the InChIKey of N-hydroxy-N-propan-2-ylpent-4-enamide?
The InChIKey is YRBBREJMSDBBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-5-6-8(10)9(11)7(2)3/h4,7,11H,1,5-6H2,2-3H3.
What are the key properties of N-hydroxy-N-propan-2-ylpent-4-enamide?
N-hydroxy-N-propan-2-ylpent-4-enamide has a molecular weight of 157.21 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-propan-2-ylpent-4-enamide is sourced from PubChem (CID 11367147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).