(Z)-1-(dimethylamino)-5-methylhex-1-en-3-one

C9H17NO — CID 131248590

IUPAC(Z)-1-(dimethylamino)-5-methylhex-1-en-3-one
SMILESCC(C)CC(=O)/C=C\N(C)C
InChIInChI=1S/C9H17NO/c1-8(2)7-9(11)5-6-10(3)4/h5-6,8H,7H2,1-4H3/b6-5-
InChIKeyKFYNNLKYGVHZQV-WAYWQWQTSA-N
MW155.24 g/mol
LogP1.68
Rot. Bonds4

About (Z)-1-(dimethylamino)-5-methylhex-1-en-3-one

(Z)-1-(dimethylamino)-5-methylhex-1-en-3-one (PubChem CID 131248590) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (Z)-1-(dimethylamino)-5-methylhex-1-en-3-one.

Molecular Properties

Compound Name(Z)-1-(dimethylamino)-5-methylhex-1-en-3-one
PubChem CID131248590
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(Z)-1-(dimethylamino)-5-methylhex-1-en-3-one
SMILESCC(C)CC(=O)/C=C\N(C)C
InChIInChI=1S/C9H17NO/c1-8(2)7-9(11)5-6-10(3)4/h5-6,8H,7H2,1-4H3/b6-5-
InChIKeyKFYNNLKYGVHZQV-WAYWQWQTSA-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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Related Compounds

6-methylhept-2-en-4-one
CID 54395514
(Z)-1-(2,2-dimethylhydrazinyl)-5-methylhex-1-en-3-one
CID 14786275
(E)-1-(dimethylamino)-4-methylhex-1-en-3-one
CID 130511571
4-methyl-2-oxopentanethial
CID 123620188
(1E,5R)-1-(dimethylamino)-5-(2-fluorophenyl)hepta-1,6-dien-3-one
CID 132553468
1,7-bis(dimethylamino)hepta-1,6-diene-3,4,5-trione
CID 57279560
N-ethyl-N,3-dimethylbutanamide
CID 18505916
(E)-1-cyclohexyl-5-methylhex-1-en-3-one
CID 11333035
(Z)-5-methyl-1-phenylhex-1-en-3-one
CID 92529574
3-methylbutanoylchloranium
CID 143335257
CID 171374936
CID 171374936
ethyl (Z)-2-hydroxy-6-methyl-4-oxohept-2-enoate
CID 11053233

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(dimethylamino)-5-methylhex-1-en-3-one?
The IUPAC name of (Z)-1-(dimethylamino)-5-methylhex-1-en-3-one (CID 131248590) is (Z)-1-(dimethylamino)-5-methylhex-1-en-3-one.
What is the SMILES notation for (Z)-1-(dimethylamino)-5-methylhex-1-en-3-one?
The canonical SMILES for (Z)-1-(dimethylamino)-5-methylhex-1-en-3-one is CC(C)CC(=O)/C=C\N(C)C.
What is the InChIKey of (Z)-1-(dimethylamino)-5-methylhex-1-en-3-one?
The InChIKey is KFYNNLKYGVHZQV-WAYWQWQTSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(2)7-9(11)5-6-10(3)4/h5-6,8H,7H2,1-4H3/b6-5-.
What are the key properties of (Z)-1-(dimethylamino)-5-methylhex-1-en-3-one?
(Z)-1-(dimethylamino)-5-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 (Z)-1-(dimethylamino)-5-methylhex-1-en-3-one is sourced from PubChem (CID 131248590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).