5-(dimethylamino)-1-(2-methoxyphenyl)-2,4-dimethylpent-1-en-3-one

C16H23NO2 — CID 69340161

IUPAC5-(dimethylamino)-1-(2-methoxyphenyl)-2,4-dimethylpent-1-en-3-one
SMILESCOc1ccccc1C=C(C)C(=O)C(C)CN(C)C
InChIInChI=1S/C16H23NO2/c1-12(16(18)13(2)11-17(3)4)10-14-8-6-7-9-15(14)19-5/h6-10,13H,11H2,1-5H3
InChIKeyMDPCYBLJSOUPIU-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.87
Rot. Bonds6

About 5-(dimethylamino)-1-(2-methoxyphenyl)-2,4-dimethylpent-1-en-3-one

5-(dimethylamino)-1-(2-methoxyphenyl)-2,4-dimethylpent-1-en-3-one (PubChem CID 69340161) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 5-(dimethylamino)-1-(2-methoxyphenyl)-2,4-dimethylpent-1-en-3-one.

Molecular Properties

Compound Name5-(dimethylamino)-1-(2-methoxyphenyl)-2,4-dimethylpent-1-en-3-one
PubChem CID69340161
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name5-(dimethylamino)-1-(2-methoxyphenyl)-2,4-dimethylpent-1-en-3-one
SMILESCOc1ccccc1C=C(C)C(=O)C(C)CN(C)C
InChIInChI=1S/C16H23NO2/c1-12(16(18)13(2)11-17(3)4)10-14-8-6-7-9-15(14)19-5/h6-10,13H,11H2,1-5H3
InChIKeyMDPCYBLJSOUPIU-UHFFFAOYSA-N
XLogP2.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-methoxyphenyl)-3-methylbut-3-en-2-ylidene]hydroxylamine
CID 131843568
N-[(E)-1-(2-methoxyphenyl)prop-1-en-2-yl]acetamide
CID 102363599
1-[2-(chloromethyl)-3-methylbut-1-enyl]-2-methoxybenzene
CID 79334601
3-(2-methoxyphenyl)-2-methylprop-2-en-1-amine
CID 79329267
1-[(Z)-3-chloro-2-methylprop-1-enyl]-2-methoxybenzene
CID 131589016
methyl (2Z)-2-[(2-methoxyphenyl)methylidene]-3-oxobutanoate
CID 70489657
(2E,3E)-2,3-bis[(2-methoxyphenyl)methylidene]butanedial
CID 87977206
methyl (Z)-2-methoxy-3-(2-methoxyphenyl)prop-2-enoate
CID 10867868
N-[3-(2-methoxyphenyl)prop-2-enyl]acetamide
CID 169465048
(Z)-4-(2-methoxyphenyl)-3-nitrobut-3-en-2-one
CID 75539548
3-[2-hydroxypropyl-(2-methoxybenzoyl)amino]-2-methylpropanoic acid
CID 82324930
ethane;ethyl (Z)-2-amino-3-(2-methoxyphenyl)prop-2-enoate
CID 142093206

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-1-(2-methoxyphenyl)-2,4-dimethylpent-1-en-3-one?
The IUPAC name of 5-(dimethylamino)-1-(2-methoxyphenyl)-2,4-dimethylpent-1-en-3-one (CID 69340161) is 5-(dimethylamino)-1-(2-methoxyphenyl)-2,4-dimethylpent-1-en-3-one.
What is the SMILES notation for 5-(dimethylamino)-1-(2-methoxyphenyl)-2,4-dimethylpent-1-en-3-one?
The canonical SMILES for 5-(dimethylamino)-1-(2-methoxyphenyl)-2,4-dimethylpent-1-en-3-one is COc1ccccc1C=C(C)C(=O)C(C)CN(C)C.
What is the InChIKey of 5-(dimethylamino)-1-(2-methoxyphenyl)-2,4-dimethylpent-1-en-3-one?
The InChIKey is MDPCYBLJSOUPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12(16(18)13(2)11-17(3)4)10-14-8-6-7-9-15(14)19-5/h6-10,13H,11H2,1-5H3.
What are the key properties of 5-(dimethylamino)-1-(2-methoxyphenyl)-2,4-dimethylpent-1-en-3-one?
5-(dimethylamino)-1-(2-methoxyphenyl)-2,4-dimethylpent-1-en-3-one has a molecular weight of 261.37 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-1-(2-methoxyphenyl)-2,4-dimethylpent-1-en-3-one is sourced from PubChem (CID 69340161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).