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

C14H18N2O2 — CID 177488398

IUPAC(2Z)-1-(4-methoxyphenyl)-2-(1-methyl-1,3-diazinan-2-ylidene)ethanone
SMILESCOc1ccc(C(=O)/C=C2/NCCCN2C)cc1
InChIInChI=1S/C14H18N2O2/c1-16-9-3-8-15-14(16)10-13(17)11-4-6-12(18-2)7-5-11/h4-7,10,15H,3,8-9H2,1-2H3/b14-10-
InChIKeyFARCMVHAUVZZEX-UVTDQMKNSA-N
MW246.31 g/mol
LogP1.64
Rot. Bonds3

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

(2Z)-1-(4-methoxyphenyl)-2-(1-methyl-1,3-diazinan-2-ylidene)ethanone (PubChem CID 177488398) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is (2Z)-1-(4-methoxyphenyl)-2-(1-methyl-1,3-diazinan-2-ylidene)ethanone.

Molecular Properties

Compound Name(2Z)-1-(4-methoxyphenyl)-2-(1-methyl-1,3-diazinan-2-ylidene)ethanone
PubChem CID177488398
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name(2Z)-1-(4-methoxyphenyl)-2-(1-methyl-1,3-diazinan-2-ylidene)ethanone
SMILESCOc1ccc(C(=O)/C=C2/NCCCN2C)cc1
InChIInChI=1S/C14H18N2O2/c1-16-9-3-8-15-14(16)10-13(17)11-4-6-12(18-2)7-5-11/h4-7,10,15H,3,8-9H2,1-2H3/b14-10-
InChIKeyFARCMVHAUVZZEX-UVTDQMKNSA-N
XLogP1.64
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2E)-1-(4-methoxyphenyl)-2-(1-prop-2-enyl-1,3-diazinan-2-ylidene)ethanone
CID 10084640
2-(1,3-dimethyl-1,3-diazinan-2-ylidene)-1-(4-methoxyphenyl)ethanone
CID 10682780
(2E)-1-(4-methoxyphenyl)-2-(1-prop-2-enylimidazolidin-2-ylidene)ethanone
CID 10467700
3-(1,4-diazepan-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 82064884
ethane;(E)-1-(4-methoxyphenyl)-4-piperazin-1-ylbut-2-ene-1,4-dione
CID 177039562
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
(4-methoxyphenyl)-(7-methyl-1,4-diazepan-1-yl)methanone
CID 82244652
(2,2-dimethyl-1,4-diazepan-1-yl)-(4-methoxyphenyl)methanone
CID 82246402
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
(2Z)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 2110837
1-(4-methoxyphenyl)-3-pyrrolidin-1-ylprop-2-yn-1-one
CID 116825595

Frequently Asked Questions

What is the IUPAC name of (2Z)-1-(4-methoxyphenyl)-2-(1-methyl-1,3-diazinan-2-ylidene)ethanone?
The IUPAC name of (2Z)-1-(4-methoxyphenyl)-2-(1-methyl-1,3-diazinan-2-ylidene)ethanone (CID 177488398) is (2Z)-1-(4-methoxyphenyl)-2-(1-methyl-1,3-diazinan-2-ylidene)ethanone.
What is the SMILES notation for (2Z)-1-(4-methoxyphenyl)-2-(1-methyl-1,3-diazinan-2-ylidene)ethanone?
The canonical SMILES for (2Z)-1-(4-methoxyphenyl)-2-(1-methyl-1,3-diazinan-2-ylidene)ethanone is COc1ccc(C(=O)/C=C2/NCCCN2C)cc1.
What is the InChIKey of (2Z)-1-(4-methoxyphenyl)-2-(1-methyl-1,3-diazinan-2-ylidene)ethanone?
The InChIKey is FARCMVHAUVZZEX-UVTDQMKNSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-16-9-3-8-15-14(16)10-13(17)11-4-6-12(18-2)7-5-11/h4-7,10,15H,3,8-9H2,1-2H3/b14-10-.
What are the key properties of (2Z)-1-(4-methoxyphenyl)-2-(1-methyl-1,3-diazinan-2-ylidene)ethanone?
(2Z)-1-(4-methoxyphenyl)-2-(1-methyl-1,3-diazinan-2-ylidene)ethanone has a molecular weight of 246.31 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1-(4-methoxyphenyl)-2-(1-methyl-1,3-diazinan-2-ylidene)ethanone is sourced from PubChem (CID 177488398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).