1-(dimethylamino)-2-methylhex-1-en-3-one

C9H17NO — CID 71321617

IUPAC1-(dimethylamino)-2-methylhex-1-en-3-one
SMILESCCCC(=O)C(C)=CN(C)C
InChIInChI=1S/C9H17NO/c1-5-6-9(11)8(2)7-10(3)4/h7H,5-6H2,1-4H3
InChIKeyOCHQPJHWDWLSAE-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.82
Rot. Bonds4

About 1-(dimethylamino)-2-methylhex-1-en-3-one

1-(dimethylamino)-2-methylhex-1-en-3-one (PubChem CID 71321617) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-(dimethylamino)-2-methylhex-1-en-3-one.

Molecular Properties

Compound Name1-(dimethylamino)-2-methylhex-1-en-3-one
PubChem CID71321617
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-(dimethylamino)-2-methylhex-1-en-3-one
SMILESCCCC(=O)C(C)=CN(C)C
InChIInChI=1S/C9H17NO/c1-5-6-9(11)8(2)7-10(3)4/h7H,5-6H2,1-4H3
InChIKeyOCHQPJHWDWLSAE-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
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

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CID 12867317
ethyl 3-(dimethylamino)-2-methylprop-2-enoate
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1-(dimethylamino)-2-phenylhex-1-en-3-one
CID 67384334
gadolinium;hexane-2,3-dione
CID 87787502
2-(dimethylaminomethylidene)-3-oxopentanoic acid
CID 57160040
(Z)-5,6-dimethylnon-5-en-4-one
CID 176967590
2-(dimethylaminomethylidene)hexanamide
CID 141171863
1,1-dichloro-4-(dimethylamino)-3-methylbut-3-en-2-one
CID 175292836
ethyl (3E)-3-(dimethylaminomethylidene)-2-oxohexanoate
CID 87523307
3-ethyldecane-2,4,6,7-tetrone
CID 176902312
(E)-3-methyldodec-2-en-4-one
CID 102121544
N-acetyl-N-methylbutanamide
CID 142271883

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-2-methylhex-1-en-3-one?
The IUPAC name of 1-(dimethylamino)-2-methylhex-1-en-3-one (CID 71321617) is 1-(dimethylamino)-2-methylhex-1-en-3-one.
What is the SMILES notation for 1-(dimethylamino)-2-methylhex-1-en-3-one?
The canonical SMILES for 1-(dimethylamino)-2-methylhex-1-en-3-one is CCCC(=O)C(C)=CN(C)C.
What is the InChIKey of 1-(dimethylamino)-2-methylhex-1-en-3-one?
The InChIKey is OCHQPJHWDWLSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-5-6-9(11)8(2)7-10(3)4/h7H,5-6H2,1-4H3.
What are the key properties of 1-(dimethylamino)-2-methylhex-1-en-3-one?
1-(dimethylamino)-2-methylhex-1-en-3-one has a molecular weight of 155.24 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-2-methylhex-1-en-3-one is sourced from PubChem (CID 71321617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).