(E)-N-(2-hydroxy-2-methylpropyl)but-2-enamide

C8H15NO2 — CID 65110651

IUPAC(E)-N-(2-hydroxy-2-methylpropyl)but-2-enamide
SMILESC/C=C/C(=O)NCC(C)(C)O
InChIInChI=1S/C8H15NO2/c1-4-5-7(10)9-6-8(2,3)11/h4-5,11H,6H2,1-3H3,(H,9,10)/b5-4+
InChIKeyVKKZVRQUJDZQHF-SNAWJCMRSA-N
MW157.21 g/mol
LogP0.45
Rot. Bonds3

About (E)-N-(2-hydroxy-2-methylpropyl)but-2-enamide

(E)-N-(2-hydroxy-2-methylpropyl)but-2-enamide (PubChem CID 65110651) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (E)-N-(2-hydroxy-2-methylpropyl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-hydroxy-2-methylpropyl)but-2-enamide
PubChem CID65110651
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(E)-N-(2-hydroxy-2-methylpropyl)but-2-enamide
SMILESC/C=C/C(=O)NCC(C)(C)O
InChIInChI=1S/C8H15NO2/c1-4-5-7(10)9-6-8(2,3)11/h4-5,11H,6H2,1-3H3,(H,9,10)/b5-4+
InChIKeyVKKZVRQUJDZQHF-SNAWJCMRSA-N
XLogP0.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Hydroxy-Gamma-Isosanshool
CID 14135316
Hydroxy-Alpha-Sanshool
CID 10084135
Hydroxy-Beta-Sanshool
CID 10220912
Hydroxy-Gamma-Sanshool
CID 14135317
Isobungeanool
CID 14135320
Bungeanool
CID 14135319
(2E,6Z,8E,10Z)-N-(2-hydroxy-2-methylpropyl)dodeca-2,6,8,10-tetraenamide
CID 46870578
(2E,4E,8E,11E)-N-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8,11-tetraenamide
CID 14135318
Hydroxy alpha sanshool
CID 53429684
N-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8,11-tetraenamide
CID 53893658
Hydroxyl-gamma-isosanshool
CID 72727915
(8E)-N-(2-hydroxy-2-methylpropyl)dodeca-2,6,8,10-tetraenamide
CID 172757996

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-hydroxy-2-methylpropyl)but-2-enamide?
The IUPAC name of (E)-N-(2-hydroxy-2-methylpropyl)but-2-enamide (CID 65110651) is (E)-N-(2-hydroxy-2-methylpropyl)but-2-enamide.
What is the SMILES notation for (E)-N-(2-hydroxy-2-methylpropyl)but-2-enamide?
The canonical SMILES for (E)-N-(2-hydroxy-2-methylpropyl)but-2-enamide is C/C=C/C(=O)NCC(C)(C)O.
What is the InChIKey of (E)-N-(2-hydroxy-2-methylpropyl)but-2-enamide?
The InChIKey is VKKZVRQUJDZQHF-SNAWJCMRSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-5-7(10)9-6-8(2,3)11/h4-5,11H,6H2,1-3H3,(H,9,10)/b5-4+.
What are the key properties of (E)-N-(2-hydroxy-2-methylpropyl)but-2-enamide?
(E)-N-(2-hydroxy-2-methylpropyl)but-2-enamide has a molecular weight of 157.21 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-hydroxy-2-methylpropyl)but-2-enamide is sourced from PubChem (CID 65110651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).