1-(dimethylamino)-4-methylpent-1-en-3-one

C8H15NO — CID 53396467

IUPAC1-(dimethylamino)-4-methylpent-1-en-3-one
SMILESCC(C)C(=O)C=CN(C)C
InChIInChI=1S/C8H15NO/c1-7(2)8(10)5-6-9(3)4/h5-7H,1-4H3
InChIKeyKLNDLIOPBBBDGL-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.29
Rot. Bonds3

About 1-(dimethylamino)-4-methylpent-1-en-3-one

1-(dimethylamino)-4-methylpent-1-en-3-one (PubChem CID 53396467) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-(dimethylamino)-4-methylpent-1-en-3-one.

Molecular Properties

Compound Name1-(dimethylamino)-4-methylpent-1-en-3-one
PubChem CID53396467
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-(dimethylamino)-4-methylpent-1-en-3-one
SMILESCC(C)C(=O)C=CN(C)C
InChIInChI=1S/C8H15NO/c1-7(2)8(10)5-6-9(3)4/h5-7H,1-4H3
InChIKeyKLNDLIOPBBBDGL-UHFFFAOYSA-N
XLogP1.29
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 ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-4-methylpent-1-en-3-one?
The IUPAC name of 1-(dimethylamino)-4-methylpent-1-en-3-one (CID 53396467) is 1-(dimethylamino)-4-methylpent-1-en-3-one.
What is the SMILES notation for 1-(dimethylamino)-4-methylpent-1-en-3-one?
The canonical SMILES for 1-(dimethylamino)-4-methylpent-1-en-3-one is CC(C)C(=O)C=CN(C)C.
What is the InChIKey of 1-(dimethylamino)-4-methylpent-1-en-3-one?
The InChIKey is KLNDLIOPBBBDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-7(2)8(10)5-6-9(3)4/h5-7H,1-4H3.
What are the key properties of 1-(dimethylamino)-4-methylpent-1-en-3-one?
1-(dimethylamino)-4-methylpent-1-en-3-one has a molecular weight of 141.21 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-4-methylpent-1-en-3-one is sourced from PubChem (CID 53396467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).