1-[1-(3-chlorophenyl)ethyl]-1,3-diazinan-2-one

C12H15ClN2O — CID 115371054

IUPAC1-[1-(3-chlorophenyl)ethyl]-1,3-diazinan-2-one
SMILESCC(c1cccc(Cl)c1)N1CCCNC1=O
InChIInChI=1S/C12H15ClN2O/c1-9(10-4-2-5-11(13)8-10)15-7-3-6-14-12(15)16/h2,4-5,8-9H,3,6-7H2,1H3,(H,14,16)
InChIKeyOITQJEBOLKDQLD-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.82
Rot. Bonds2

About 1-[1-(3-chlorophenyl)ethyl]-1,3-diazinan-2-one

1-[1-(3-chlorophenyl)ethyl]-1,3-diazinan-2-one (PubChem CID 115371054) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)ethyl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)ethyl]-1,3-diazinan-2-one
PubChem CID115371054
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name1-[1-(3-chlorophenyl)ethyl]-1,3-diazinan-2-one
SMILESCC(c1cccc(Cl)c1)N1CCCNC1=O
InChIInChI=1S/C12H15ClN2O/c1-9(10-4-2-5-11(13)8-10)15-7-3-6-14-12(15)16/h2,4-5,8-9H,3,6-7H2,1H3,(H,14,16)
InChIKeyOITQJEBOLKDQLD-UHFFFAOYSA-N
XLogP2.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-(3-chlorophenyl)ethyl]-1,4-diazepane
CID 5105220
9-[1-(3-chlorophenyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64965352
4-[2-amino-1-(3-chlorophenyl)propyl]-1,4-diazepan-2-one
CID 65361473
4-(chloromethyl)-1-[1-(3-chlorophenyl)ethyl]pyrrolidin-2-one
CID 168506584
1-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetyl]imidazolidin-2-one
CID 9307678
2-[(1R)-1-(3-chlorophenyl)ethyl]isoindole-1,3-dione
CID 101386514
1-[1-(5-methylthiophen-2-yl)ethyl]-1,3-diazinan-2-one
CID 115371002
3-butan-2-yl-1-[1-(3-chlorophenyl)ethyl]-1,4-diazepane
CID 64942482
1-[1-(3-chlorophenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide
CID 168716499
1-[1-(2-chlorophenyl)ethyl]imidazolidin-2-one
CID 115370564
2-(3-chlorophenyl)-1-piperazin-1-ylpropan-1-one
CID 82511839
6-amino-1-[1-(3-chlorophenyl)ethyl]pyrimidine-2,4-dione
CID 54965404

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)ethyl]-1,3-diazinan-2-one?
The IUPAC name of 1-[1-(3-chlorophenyl)ethyl]-1,3-diazinan-2-one (CID 115371054) is 1-[1-(3-chlorophenyl)ethyl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-[1-(3-chlorophenyl)ethyl]-1,3-diazinan-2-one?
The canonical SMILES for 1-[1-(3-chlorophenyl)ethyl]-1,3-diazinan-2-one is CC(c1cccc(Cl)c1)N1CCCNC1=O.
What is the InChIKey of 1-[1-(3-chlorophenyl)ethyl]-1,3-diazinan-2-one?
The InChIKey is OITQJEBOLKDQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-9(10-4-2-5-11(13)8-10)15-7-3-6-14-12(15)16/h2,4-5,8-9H,3,6-7H2,1H3,(H,14,16).
What are the key properties of 1-[1-(3-chlorophenyl)ethyl]-1,3-diazinan-2-one?
1-[1-(3-chlorophenyl)ethyl]-1,3-diazinan-2-one has a molecular weight of 238.72 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)ethyl]-1,3-diazinan-2-one is sourced from PubChem (CID 115371054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).