2-[2-(2-methylphenyl)ethyl]diazinan-3-one

C13H18N2O — CID 105472933

IUPAC2-[2-(2-methylphenyl)ethyl]diazinan-3-one
SMILESCc1ccccc1CCN1NCCCC1=O
InChIInChI=1S/C13H18N2O/c1-11-5-2-3-6-12(11)8-10-15-13(16)7-4-9-14-15/h2-3,5-6,14H,4,7-10H2,1H3
InChIKeyCFNCDWCIUZLEJL-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.66
Rot. Bonds3

About 2-[2-(2-methylphenyl)ethyl]diazinan-3-one

2-[2-(2-methylphenyl)ethyl]diazinan-3-one (PubChem CID 105472933) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-[2-(2-methylphenyl)ethyl]diazinan-3-one.

Molecular Properties

Compound Name2-[2-(2-methylphenyl)ethyl]diazinan-3-one
PubChem CID105472933
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-[2-(2-methylphenyl)ethyl]diazinan-3-one
SMILESCc1ccccc1CCN1NCCCC1=O
InChIInChI=1S/C13H18N2O/c1-11-5-2-3-6-12(11)8-10-15-13(16)7-4-9-14-15/h2-3,5-6,14H,4,7-10H2,1H3
InChIKeyCFNCDWCIUZLEJL-UHFFFAOYSA-N
XLogP1.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-methylphenyl)ethyl]-1,4-diazepan-2-one
CID 82289755
2-[2-(3-methylphenyl)ethyl]pyrazolidin-3-one
CID 105456569
3-[2-(2-methylphenyl)ethyl]-1H-imidazol-2-one
CID 103125787
4-(2-ethyl-6-methylphenyl)-1,4-diazocan-5-one
CID 117015355
2-[2-(2-methylphenyl)ethyl]-3,4,7,8,9,9a-hexahydropyrrolo[1,2-a][1,4]diazepine-1,5-dione
CID 79925710
3-methyl-1-[2-(2-methylphenyl)ethyl]piperazine
CID 79755831
1-[(2-methylphenyl)methyl]-6-oxopiperidine-2-carboxylic acid
CID 91812158
3-amino-1-[2-(2-methylphenyl)ethyl]pyrrolidin-2-one
CID 79749381
2-[3-[2-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine
CID 114706613
1-[2-(2,5-dimethylphenyl)ethyl]piperidine-2,6-dione
CID 82130522
2-(1,4-diazepan-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]ethanamine
CID 62833835
3,6-dimethyl-1-[2-(2-methylphenyl)ethyl]piperazine-2,5-dione
CID 79755635

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylphenyl)ethyl]diazinan-3-one?
The IUPAC name of 2-[2-(2-methylphenyl)ethyl]diazinan-3-one (CID 105472933) is 2-[2-(2-methylphenyl)ethyl]diazinan-3-one.
What is the SMILES notation for 2-[2-(2-methylphenyl)ethyl]diazinan-3-one?
The canonical SMILES for 2-[2-(2-methylphenyl)ethyl]diazinan-3-one is Cc1ccccc1CCN1NCCCC1=O.
What is the InChIKey of 2-[2-(2-methylphenyl)ethyl]diazinan-3-one?
The InChIKey is CFNCDWCIUZLEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-11-5-2-3-6-12(11)8-10-15-13(16)7-4-9-14-15/h2-3,5-6,14H,4,7-10H2,1H3.
What are the key properties of 2-[2-(2-methylphenyl)ethyl]diazinan-3-one?
2-[2-(2-methylphenyl)ethyl]diazinan-3-one has a molecular weight of 218.30 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylphenyl)ethyl]diazinan-3-one is sourced from PubChem (CID 105472933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).