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

C14H19NO — CID 67384334

IUPAC1-(dimethylamino)-2-phenylhex-1-en-3-one
SMILESCCCC(=O)C(=CN(C)C)c1ccccc1
InChIInChI=1S/C14H19NO/c1-4-8-14(16)13(11-15(2)3)12-9-6-5-7-10-12/h5-7,9-11H,4,8H2,1-3H3
InChIKeyVDWSLGHSDWGXCH-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.96
Rot. Bonds5

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

1-(dimethylamino)-2-phenylhex-1-en-3-one (PubChem CID 67384334) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-(dimethylamino)-2-phenylhex-1-en-3-one.

Molecular Properties

Compound Name1-(dimethylamino)-2-phenylhex-1-en-3-one
PubChem CID67384334
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-(dimethylamino)-2-phenylhex-1-en-3-one
SMILESCCCC(=O)C(=CN(C)C)c1ccccc1
InChIInChI=1S/C14H19NO/c1-4-8-14(16)13(11-15(2)3)12-9-6-5-7-10-12/h5-7,9-11H,4,8H2,1-3H3
InChIKeyVDWSLGHSDWGXCH-UHFFFAOYSA-N
XLogP2.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.96
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

ethyl 3-(dimethylamino)-2-phenylprop-2-enoate
CID 57057517
3-(dimethylamino)-1,2-diphenylprop-2-en-1-one;ethane
CID 90689450
1-(dimethylamino)-2-(1-phenyltetrazol-5-yl)hex-1-en-3-one
CID 3642835
(E)-4-(dimethylamino)-1,1,1-trifluoro-3-phenylbut-3-en-2-one
CID 132542566
tert-butyl N-[(E)-3-oxo-2-phenylhept-1-enyl]-N-phenylcarbamate
CID 166174373
1-phenylbutan-1-one
CID 10315
ethane;1-phenylpentan-1-one
CID 143728184
(E)-4-(diethylamino)-1-methoxy-3-phenylbut-3-en-2-one
CID 70608998
(E)-3-(dimethylamino)-2-(4-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 15729872
1-phenylbutan-1-one;hydrobromide
CID 139638507
1-(dimethylamino)-2-methylhex-1-en-3-one
CID 71321617
1-(dimethylamino)-2-(2-methyl-4-pyridinyl)pent-1-en-3-one
CID 54274208

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-2-phenylhex-1-en-3-one?
The IUPAC name of 1-(dimethylamino)-2-phenylhex-1-en-3-one (CID 67384334) is 1-(dimethylamino)-2-phenylhex-1-en-3-one.
What is the SMILES notation for 1-(dimethylamino)-2-phenylhex-1-en-3-one?
The canonical SMILES for 1-(dimethylamino)-2-phenylhex-1-en-3-one is CCCC(=O)C(=CN(C)C)c1ccccc1.
What is the InChIKey of 1-(dimethylamino)-2-phenylhex-1-en-3-one?
The InChIKey is VDWSLGHSDWGXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-4-8-14(16)13(11-15(2)3)12-9-6-5-7-10-12/h5-7,9-11H,4,8H2,1-3H3.
What are the key properties of 1-(dimethylamino)-2-phenylhex-1-en-3-one?
1-(dimethylamino)-2-phenylhex-1-en-3-one has a molecular weight of 217.31 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-2-phenylhex-1-en-3-one is sourced from PubChem (CID 67384334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).