(E)-1-(dimethylamino)-4-methylhex-1-en-3-one

C9H17NO — CID 130511571

IUPAC(E)-1-(dimethylamino)-4-methylhex-1-en-3-one
SMILESCCC(C)C(=O)/C=C/N(C)C
InChIInChI=1S/C9H17NO/c1-5-8(2)9(11)6-7-10(3)4/h6-8H,5H2,1-4H3/b7-6+
InChIKeyVTCVLNYKYCYVQH-VOTSOKGWSA-N
MW155.24 g/mol
LogP1.68
Rot. Bonds4

About (E)-1-(dimethylamino)-4-methylhex-1-en-3-one

(E)-1-(dimethylamino)-4-methylhex-1-en-3-one (PubChem CID 130511571) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (E)-1-(dimethylamino)-4-methylhex-1-en-3-one.

Molecular Properties

Compound Name(E)-1-(dimethylamino)-4-methylhex-1-en-3-one
PubChem CID130511571
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(E)-1-(dimethylamino)-4-methylhex-1-en-3-one
SMILESCCC(C)C(=O)/C=C/N(C)C
InChIInChI=1S/C9H17NO/c1-5-8(2)9(11)6-7-10(3)4/h6-8H,5H2,1-4H3/b7-6+
InChIKeyVTCVLNYKYCYVQH-VOTSOKGWSA-N
XLogP1.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.68
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 (E)-1-(dimethylamino)-4-methylhex-1-en-3-one?
The IUPAC name of (E)-1-(dimethylamino)-4-methylhex-1-en-3-one (CID 130511571) is (E)-1-(dimethylamino)-4-methylhex-1-en-3-one.
What is the SMILES notation for (E)-1-(dimethylamino)-4-methylhex-1-en-3-one?
The canonical SMILES for (E)-1-(dimethylamino)-4-methylhex-1-en-3-one is CCC(C)C(=O)/C=C/N(C)C.
What is the InChIKey of (E)-1-(dimethylamino)-4-methylhex-1-en-3-one?
The InChIKey is VTCVLNYKYCYVQH-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H17NO/c1-5-8(2)9(11)6-7-10(3)4/h6-8H,5H2,1-4H3/b7-6+.
What are the key properties of (E)-1-(dimethylamino)-4-methylhex-1-en-3-one?
(E)-1-(dimethylamino)-4-methylhex-1-en-3-one has a molecular weight of 155.24 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(dimethylamino)-4-methylhex-1-en-3-one is sourced from PubChem (CID 130511571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).