4-(2-hydroxyethylimino)-3-methylpentan-2-one

C8H15NO2 — CID 131227268

IUPAC4-(2-hydroxyethylimino)-3-methylpentan-2-one
SMILESCC(=O)C(C)/C(C)=N/CCO
InChIInChI=1S/C8H15NO2/c1-6(8(3)11)7(2)9-4-5-10/h6,10H,4-5H2,1-3H3/b9-7+
InChIKeyAMYORPZVHABICP-VQHVLOKHSA-N
MW157.21 g/mol
LogP0.66
Rot. Bonds4

About 4-(2-hydroxyethylimino)-3-methylpentan-2-one

4-(2-hydroxyethylimino)-3-methylpentan-2-one (PubChem CID 131227268) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 4-(2-hydroxyethylimino)-3-methylpentan-2-one.

Molecular Properties

Compound Name4-(2-hydroxyethylimino)-3-methylpentan-2-one
PubChem CID131227268
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name4-(2-hydroxyethylimino)-3-methylpentan-2-one
SMILESCC(=O)C(C)/C(C)=N/CCO
InChIInChI=1S/C8H15NO2/c1-6(8(3)11)7(2)9-4-5-10/h6,10H,4-5H2,1-3H3/b9-7+
InChIKeyAMYORPZVHABICP-VQHVLOKHSA-N
XLogP0.66
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-Pentanone, 4-[(2-hydroxyethyl)imino]-
CID 12089745
4-(1-Hydroxyethylimino)pentan-2-one
CID 53811479
(4E)-4-[(2-Hydroxypropyl)imino]pentan-2-one
CID 71357649
5-(2-Hydroxyethylimino)-2,2-dimethylhexan-3-one
CID 86180038
4-(1-Hydroxypropylimino)pentan-2-one
CID 131228578
3-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]hexan-2-one
CID 139752183
1-(2-Hydroxyethylimino)-4-methylpentan-3-one
CID 139752189
3-Ethyl-4-(2-hydroxyethylimino)pentan-2-one
CID 139752199
2-Acetyl-3-(2-hydroxyethylimino)butanenitrile
CID 139752202
4-[(2R)-2-hydroxypropyl]iminopentan-2-one
CID 100989127
4-[(2S)-2-hydroxypropyl]iminopentan-2-one
CID 101171162
5-(2-Hydroxyethylimino)-2,6-dimethylheptan-3-one
CID 101171163

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethylimino)-3-methylpentan-2-one?
The IUPAC name of 4-(2-hydroxyethylimino)-3-methylpentan-2-one (CID 131227268) is 4-(2-hydroxyethylimino)-3-methylpentan-2-one.
What is the SMILES notation for 4-(2-hydroxyethylimino)-3-methylpentan-2-one?
The canonical SMILES for 4-(2-hydroxyethylimino)-3-methylpentan-2-one is CC(=O)C(C)/C(C)=N/CCO.
What is the InChIKey of 4-(2-hydroxyethylimino)-3-methylpentan-2-one?
The InChIKey is AMYORPZVHABICP-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6(8(3)11)7(2)9-4-5-10/h6,10H,4-5H2,1-3H3/b9-7+.
What are the key properties of 4-(2-hydroxyethylimino)-3-methylpentan-2-one?
4-(2-hydroxyethylimino)-3-methylpentan-2-one has a molecular weight of 157.21 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethylimino)-3-methylpentan-2-one is sourced from PubChem (CID 131227268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).