(E)-2-(dimethylamino)-4-methylhex-4-en-3-one

C9H17NO — CID 20669988

IUPAC(E)-2-(dimethylamino)-4-methylhex-4-en-3-one
SMILESC/C=C(\C)C(=O)C(C)N(C)C
InChIInChI=1S/C9H17NO/c1-6-7(2)9(11)8(3)10(4)5/h6,8H,1-5H3/b7-6+
InChIKeySGDJDFLIWNURIU-VOTSOKGWSA-N
MW155.24 g/mol
LogP1.47
Rot. Bonds3

About (E)-2-(dimethylamino)-4-methylhex-4-en-3-one

(E)-2-(dimethylamino)-4-methylhex-4-en-3-one (PubChem CID 20669988) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (E)-2-(dimethylamino)-4-methylhex-4-en-3-one.

Molecular Properties

Compound Name(E)-2-(dimethylamino)-4-methylhex-4-en-3-one
PubChem CID20669988
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(E)-2-(dimethylamino)-4-methylhex-4-en-3-one
SMILESC/C=C(\C)C(=O)C(C)N(C)C
InChIInChI=1S/C9H17NO/c1-6-7(2)9(11)8(3)10(4)5/h6,8H,1-5H3/b7-6+
InChIKeySGDJDFLIWNURIU-VOTSOKGWSA-N
XLogP1.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.47
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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Related Compounds

(Meth)acryloylethyltrimethylammonium chloride
CID 20231506
3-Methyl-6-(dimethylamino)-2-hexen-4-one
CID 129810031
1-t-Butyl-2,5-dimethyl-4,5-dehydro-3-piperidone
CID 3438403
1,2,5-Trimethyl-4,5-dehydropiperid-3-one
CID 3591042
1-Diethylamino-4-methyl-4-hexen-3-one
CID 129805061
1-Diethyl-amino-4-methyl-4-hexen-3-one
CID 129810014
1-Tert-butyl-4-methyl-2,6-dihydropyridin-3-one;hydrobromide
CID 2873148
1-tert-butyl-4-methyl-1,6-dihydropyridin-3(2H)-one
CID 760900
5-(Tert-butyl)-1,2-dimethyl-1,6-dihydro-3(2H)-pyridinone
CID 13443196
(E)-1-(dimethylamino)-4-methylhex-4-en-3-one
CID 12348648
Trimethyl-(4-methyl-3-oxopent-4-en-2-yl)azanium iodide
CID 19069945
Trimethyl-(4-methyl-3-oxopent-4-en-2-yl)azanium
CID 19069946

Frequently Asked Questions

What is the IUPAC name of (E)-2-(dimethylamino)-4-methylhex-4-en-3-one?
The IUPAC name of (E)-2-(dimethylamino)-4-methylhex-4-en-3-one (CID 20669988) is (E)-2-(dimethylamino)-4-methylhex-4-en-3-one.
What is the SMILES notation for (E)-2-(dimethylamino)-4-methylhex-4-en-3-one?
The canonical SMILES for (E)-2-(dimethylamino)-4-methylhex-4-en-3-one is C/C=C(\C)C(=O)C(C)N(C)C.
What is the InChIKey of (E)-2-(dimethylamino)-4-methylhex-4-en-3-one?
The InChIKey is SGDJDFLIWNURIU-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H17NO/c1-6-7(2)9(11)8(3)10(4)5/h6,8H,1-5H3/b7-6+.
What are the key properties of (E)-2-(dimethylamino)-4-methylhex-4-en-3-one?
(E)-2-(dimethylamino)-4-methylhex-4-en-3-one has a molecular weight of 155.24 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(dimethylamino)-4-methylhex-4-en-3-one is sourced from PubChem (CID 20669988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).