(E)-6-(2-hydroxyethylamino)-2-methylhex-4-en-3-one

C9H17NO2 — CID 135183413

IUPAC(E)-6-(2-hydroxyethylamino)-2-methylhex-4-en-3-one
SMILESCC(C)C(=O)/C=C/CNCCO
InChIInChI=1S/C9H17NO2/c1-8(2)9(12)4-3-5-10-6-7-11/h3-4,8,10-11H,5-7H2,1-2H3/b4-3+
InChIKeyDROIPRWXGPRXFY-ONEGZZNKSA-N
MW171.24 g/mol
LogP0.35
Rot. Bonds6

About (E)-6-(2-hydroxyethylamino)-2-methylhex-4-en-3-one

(E)-6-(2-hydroxyethylamino)-2-methylhex-4-en-3-one (PubChem CID 135183413) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (E)-6-(2-hydroxyethylamino)-2-methylhex-4-en-3-one.

Molecular Properties

Compound Name(E)-6-(2-hydroxyethylamino)-2-methylhex-4-en-3-one
PubChem CID135183413
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(E)-6-(2-hydroxyethylamino)-2-methylhex-4-en-3-one
SMILESCC(C)C(=O)/C=C/CNCCO
InChIInChI=1S/C9H17NO2/c1-8(2)9(12)4-3-5-10-6-7-11/h3-4,8,10-11H,5-7H2,1-2H3/b4-3+
InChIKeyDROIPRWXGPRXFY-ONEGZZNKSA-N
XLogP0.35
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-6-(2-hydroxyethylamino)-2-methylhex-4-en-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (Z)-4-(2-hydroxyethylamino)but-2-enoate
CID 59367923
7-methyl-6-oxooct-4-enal
CID 131863005
(E)-6-bromo-2-methylhex-4-en-3-one;ethane
CID 168909812
2-[[(2Z,4Z)-4,5-dimethylhepta-2,4,6-trienyl]amino]ethanol
CID 88544382
2-(hex-2-enylamino)ethanol
CID 173239159
(E)-7-methyl-6-oxooct-4-enoic acid
CID 176584292
but-2-enedioic acid;bis(2-(2-hydroxyethylamino)ethanol)
CID 173323087
3-[(2-hydroxyethylamino)methyl]-2,4-dimethylpentanal
CID 90790560
ethyl (E)-4-[3-[methyl(propan-2-yl)amino]propylamino]but-2-enoate
CID 106036662
(E)-N,N-dimethyl-4-(propylamino)but-2-enamide
CID 156709508
carbonic acid;bis(2-(2-hydroxyethylamino)ethanol)
CID 163568127
(E)-6-but-2-ynylsulfonyl-2-methylhex-4-en-3-one
CID 11356634

Frequently Asked Questions

What is the IUPAC name of (E)-6-(2-hydroxyethylamino)-2-methylhex-4-en-3-one?
The IUPAC name of (E)-6-(2-hydroxyethylamino)-2-methylhex-4-en-3-one (CID 135183413) is (E)-6-(2-hydroxyethylamino)-2-methylhex-4-en-3-one.
What is the SMILES notation for (E)-6-(2-hydroxyethylamino)-2-methylhex-4-en-3-one?
The canonical SMILES for (E)-6-(2-hydroxyethylamino)-2-methylhex-4-en-3-one is CC(C)C(=O)/C=C/CNCCO.
What is the InChIKey of (E)-6-(2-hydroxyethylamino)-2-methylhex-4-en-3-one?
The InChIKey is DROIPRWXGPRXFY-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8(2)9(12)4-3-5-10-6-7-11/h3-4,8,10-11H,5-7H2,1-2H3/b4-3+.
What are the key properties of (E)-6-(2-hydroxyethylamino)-2-methylhex-4-en-3-one?
(E)-6-(2-hydroxyethylamino)-2-methylhex-4-en-3-one has a molecular weight of 171.24 g/mol, XLogP of 0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-(2-hydroxyethylamino)-2-methylhex-4-en-3-one is sourced from PubChem (CID 135183413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).