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

C8H15NO — CID 12867317

IUPAC(E)-1-(dimethylamino)-2-methylpent-1-en-3-one
SMILESCCC(=O)/C(C)=C/N(C)C
InChIInChI=1S/C8H15NO/c1-5-8(10)7(2)6-9(3)4/h6H,5H2,1-4H3/b7-6+
InChIKeyBOUIVAQMYYBWPI-VOTSOKGWSA-N
MW141.21 g/mol
LogP1.43
Rot. Bonds3

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

(E)-1-(dimethylamino)-2-methylpent-1-en-3-one (PubChem CID 12867317) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (E)-1-(dimethylamino)-2-methylpent-1-en-3-one.

Molecular Properties

Compound Name(E)-1-(dimethylamino)-2-methylpent-1-en-3-one
PubChem CID12867317
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(E)-1-(dimethylamino)-2-methylpent-1-en-3-one
SMILESCCC(=O)/C(C)=C/N(C)C
InChIInChI=1S/C8H15NO/c1-5-8(10)7(2)6-9(3)4/h6H,5H2,1-4H3/b7-6+
InChIKeyBOUIVAQMYYBWPI-VOTSOKGWSA-N
XLogP1.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-1-(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 (E)-1-(dimethylamino)-2-methylpent-1-en-3-one?
The IUPAC name of (E)-1-(dimethylamino)-2-methylpent-1-en-3-one (CID 12867317) is (E)-1-(dimethylamino)-2-methylpent-1-en-3-one.
What is the SMILES notation for (E)-1-(dimethylamino)-2-methylpent-1-en-3-one?
The canonical SMILES for (E)-1-(dimethylamino)-2-methylpent-1-en-3-one is CCC(=O)/C(C)=C/N(C)C.
What is the InChIKey of (E)-1-(dimethylamino)-2-methylpent-1-en-3-one?
The InChIKey is BOUIVAQMYYBWPI-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H15NO/c1-5-8(10)7(2)6-9(3)4/h6H,5H2,1-4H3/b7-6+.
What are the key properties of (E)-1-(dimethylamino)-2-methylpent-1-en-3-one?
(E)-1-(dimethylamino)-2-methylpent-1-en-3-one has a molecular weight of 141.21 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(dimethylamino)-2-methylpent-1-en-3-one is sourced from PubChem (CID 12867317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).