5-(dimethylamino)-2-methylpent-1-en-3-one

C8H15NO — CID 18510003

IUPAC5-(dimethylamino)-2-methylpent-1-en-3-one
SMILESC=C(C)C(=O)CCN(C)C
InChIInChI=1S/C8H15NO/c1-7(2)8(10)5-6-9(3)4/h1,5-6H2,2-4H3
InChIKeyILWGOCDXJYCPQQ-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.08
Rot. Bonds4

About 5-(dimethylamino)-2-methylpent-1-en-3-one

5-(dimethylamino)-2-methylpent-1-en-3-one (PubChem CID 18510003) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 5-(dimethylamino)-2-methylpent-1-en-3-one.

Molecular Properties

Compound Name5-(dimethylamino)-2-methylpent-1-en-3-one
PubChem CID18510003
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name5-(dimethylamino)-2-methylpent-1-en-3-one
SMILESC=C(C)C(=O)CCN(C)C
InChIInChI=1S/C8H15NO/c1-7(2)8(10)5-6-9(3)4/h1,5-6H2,2-4H3
InChIKeyILWGOCDXJYCPQQ-UHFFFAOYSA-N
XLogP1.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(dimethylamino)-2-methylpent-1-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

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-methylpent-1-en-3-one?
The IUPAC name of 5-(dimethylamino)-2-methylpent-1-en-3-one (CID 18510003) is 5-(dimethylamino)-2-methylpent-1-en-3-one.
What is the SMILES notation for 5-(dimethylamino)-2-methylpent-1-en-3-one?
The canonical SMILES for 5-(dimethylamino)-2-methylpent-1-en-3-one is C=C(C)C(=O)CCN(C)C.
What is the InChIKey of 5-(dimethylamino)-2-methylpent-1-en-3-one?
The InChIKey is ILWGOCDXJYCPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-7(2)8(10)5-6-9(3)4/h1,5-6H2,2-4H3.
What are the key properties of 5-(dimethylamino)-2-methylpent-1-en-3-one?
5-(dimethylamino)-2-methylpent-1-en-3-one has a molecular weight of 141.21 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-methylpent-1-en-3-one is sourced from PubChem (CID 18510003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).