(E)-N-(3-hydroxy-2-methylpropyl)but-2-enamide

C8H15NO2 — CID 65031695

IUPAC(E)-N-(3-hydroxy-2-methylpropyl)but-2-enamide
SMILESC/C=C/C(=O)NCC(C)CO
InChIInChI=1S/C8H15NO2/c1-3-4-8(11)9-5-7(2)6-10/h3-4,7,10H,5-6H2,1-2H3,(H,9,11)/b4-3+
InChIKeyYNNDQMMEPVCREJ-ONEGZZNKSA-N
MW157.21 g/mol
LogP0.31
Rot. Bonds4

About (E)-N-(3-hydroxy-2-methylpropyl)but-2-enamide

(E)-N-(3-hydroxy-2-methylpropyl)but-2-enamide (PubChem CID 65031695) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (E)-N-(3-hydroxy-2-methylpropyl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-hydroxy-2-methylpropyl)but-2-enamide
PubChem CID65031695
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(E)-N-(3-hydroxy-2-methylpropyl)but-2-enamide
SMILESC/C=C/C(=O)NCC(C)CO
InChIInChI=1S/C8H15NO2/c1-3-4-8(11)9-5-7(2)6-10/h3-4,7,10H,5-6H2,1-2H3,(H,9,11)/b4-3+
InChIKeyYNNDQMMEPVCREJ-ONEGZZNKSA-N
XLogP0.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.31
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

N-(3-hydroxy-2-methylpropyl)hexa-2,4-dienamide
CID 77055644
4-[(3-hydroxy-2-methylpropyl)amino]-4-oxobut-2-enoic acid
CID 77055688
(E)-N-(2,3,3-trimethylbutyl)but-2-enamide
CID 78965876
N-(2-cyanopropyl)but-2-enamide
CID 78997190
3-(3,5-dichlorophenyl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide
CID 77055769
(E)-3-(2-bromophenyl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide
CID 65037251
3-(4-ethylphenyl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide
CID 77055669
(E)-N-(3,3,3-trifluoro-2-hydroxypropyl)but-2-enamide
CID 103755858
N-(3-hydroxy-2-methylpropyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 77055780
(E)-[(2S)-1-[[(E)-but-2-enoyl]amino]-3-methylbutan-2-yl]-hydroxyimino-oxidoazanium
CID 135565324
(E)-N-(3-hydroxy-2-methylpropyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 65037410
1-(but-2-enoylamino)-N-(hydroxyamino)-3-methylbutan-2-amine oxide
CID 163141049

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-hydroxy-2-methylpropyl)but-2-enamide?
The IUPAC name of (E)-N-(3-hydroxy-2-methylpropyl)but-2-enamide (CID 65031695) is (E)-N-(3-hydroxy-2-methylpropyl)but-2-enamide.
What is the SMILES notation for (E)-N-(3-hydroxy-2-methylpropyl)but-2-enamide?
The canonical SMILES for (E)-N-(3-hydroxy-2-methylpropyl)but-2-enamide is C/C=C/C(=O)NCC(C)CO.
What is the InChIKey of (E)-N-(3-hydroxy-2-methylpropyl)but-2-enamide?
The InChIKey is YNNDQMMEPVCREJ-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-4-8(11)9-5-7(2)6-10/h3-4,7,10H,5-6H2,1-2H3,(H,9,11)/b4-3+.
What are the key properties of (E)-N-(3-hydroxy-2-methylpropyl)but-2-enamide?
(E)-N-(3-hydroxy-2-methylpropyl)but-2-enamide has a molecular weight of 157.21 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-hydroxy-2-methylpropyl)but-2-enamide is sourced from PubChem (CID 65031695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).