2-(1,3-dimethyl-1,3-diazinan-2-ylidene)-1-(4-methoxyphenyl)ethanone

C15H20N2O2 — CID 10682780

IUPAC2-(1,3-dimethyl-1,3-diazinan-2-ylidene)-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)C=C2N(C)CCCN2C)cc1
InChIInChI=1S/C15H20N2O2/c1-16-9-4-10-17(2)15(16)11-14(18)12-5-7-13(19-3)8-6-12/h5-8,11H,4,9-10H2,1-3H3
InChIKeyGJWCAWCSXUISJX-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.99
Rot. Bonds3

About 2-(1,3-dimethyl-1,3-diazinan-2-ylidene)-1-(4-methoxyphenyl)ethanone

2-(1,3-dimethyl-1,3-diazinan-2-ylidene)-1-(4-methoxyphenyl)ethanone (PubChem CID 10682780) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-(1,3-dimethyl-1,3-diazinan-2-ylidene)-1-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(1,3-dimethyl-1,3-diazinan-2-ylidene)-1-(4-methoxyphenyl)ethanone
PubChem CID10682780
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-(1,3-dimethyl-1,3-diazinan-2-ylidene)-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)C=C2N(C)CCCN2C)cc1
InChIInChI=1S/C15H20N2O2/c1-16-9-4-10-17(2)15(16)11-14(18)12-5-7-13(19-3)8-6-12/h5-8,11H,4,9-10H2,1-3H3
InChIKeyGJWCAWCSXUISJX-UHFFFAOYSA-N
XLogP1.99
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-1-(4-methoxyphenyl)-2-(1-methyl-1,3-diazinan-2-ylidene)ethanone
CID 177488398
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
2-(1,3-dimethyl-1,3-diazinan-2-ylidene)acetic acid
CID 82412453
(4-methoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 6467901
3,3-dibromo-1-(4-methoxyphenyl)prop-2-en-1-one
CID 135039822
3-chloro-1-(4-methoxyphenyl)prop-2-en-1-one
CID 27468
1-(4-methoxyphenyl)-3-pyrrolidin-1-ylprop-2-yn-1-one
CID 116825595
4-methoxybenzoic acid;silver
CID 140722019
4-methoxybenzoic acid;hydrobromide
CID 172731707
(2E)-1-(4-methoxyphenyl)-2-(2,3,3-trimethyl-4H-isoquinolin-1-ylidene)ethanone
CID 5412567
(2E)-1-(4-methoxyphenyl)-2-(1-prop-2-enyl-1,3-diazinan-2-ylidene)ethanone
CID 10084640
(4-methoxyphenyl)-[4-(1-methylpyrrole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110808183

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-1,3-diazinan-2-ylidene)-1-(4-methoxyphenyl)ethanone?
The IUPAC name of 2-(1,3-dimethyl-1,3-diazinan-2-ylidene)-1-(4-methoxyphenyl)ethanone (CID 10682780) is 2-(1,3-dimethyl-1,3-diazinan-2-ylidene)-1-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(1,3-dimethyl-1,3-diazinan-2-ylidene)-1-(4-methoxyphenyl)ethanone?
The canonical SMILES for 2-(1,3-dimethyl-1,3-diazinan-2-ylidene)-1-(4-methoxyphenyl)ethanone is COc1ccc(C(=O)C=C2N(C)CCCN2C)cc1.
What is the InChIKey of 2-(1,3-dimethyl-1,3-diazinan-2-ylidene)-1-(4-methoxyphenyl)ethanone?
The InChIKey is GJWCAWCSXUISJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-16-9-4-10-17(2)15(16)11-14(18)12-5-7-13(19-3)8-6-12/h5-8,11H,4,9-10H2,1-3H3.
What are the key properties of 2-(1,3-dimethyl-1,3-diazinan-2-ylidene)-1-(4-methoxyphenyl)ethanone?
2-(1,3-dimethyl-1,3-diazinan-2-ylidene)-1-(4-methoxyphenyl)ethanone has a molecular weight of 260.34 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-1,3-diazinan-2-ylidene)-1-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 10682780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).