6-(4-chlorophenyl)diazinan-3-one

C10H11ClN2O — CID 139782184

IUPAC6-(4-chlorophenyl)diazinan-3-one
SMILESO=C1CCC(c2ccc(Cl)cc2)NN1
InChIInChI=1S/C10H11ClN2O/c11-8-3-1-7(2-4-8)9-5-6-10(14)13-12-9/h1-4,9,12H,5-6H2,(H,13,14)
InChIKeyOMRPUHFQBDMGCC-UHFFFAOYSA-N
MW210.66 g/mol
LogP1.80
Rot. Bonds1

About 6-(4-chlorophenyl)diazinan-3-one

6-(4-chlorophenyl)diazinan-3-one (PubChem CID 139782184) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 6-(4-chlorophenyl)diazinan-3-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)diazinan-3-one
PubChem CID139782184
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name6-(4-chlorophenyl)diazinan-3-one
SMILESO=C1CCC(c2ccc(Cl)cc2)NN1
InChIInChI=1S/C10H11ClN2O/c11-8-3-1-7(2-4-8)9-5-6-10(14)13-12-9/h1-4,9,12H,5-6H2,(H,13,14)
InChIKeyOMRPUHFQBDMGCC-UHFFFAOYSA-N
XLogP1.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-(4-phenylphenyl)diazinan-3-one
CID 21146041
(6S)-6-(4-chlorophenyl)-1,3-diazinane-2,4-dione
CID 2097974
6-pyridin-3-yldiazinan-3-one
CID 20559353
8-(4-chlorophenyl)azocan-2-one
CID 165492296
6-(4-chlorophenyl)-4-methyl-1,2,4-triazinan-3-one
CID 22248788
(4S)-4-(4-chlorophenyl)azetidine-2-thione
CID 102306093
5-(4-chlorophenyl)thiomorpholin-3-one
CID 105485089
(5R)-5-(4-fluorophenyl)pyrrolidin-2-one
CID 13293374
(2R)-2-(4-chlorophenyl)-2,3-dihydro-1H-quinolin-4-one
CID 86312786
5-(4-chlorophenyl)-2-methylpyrazolidin-3-one
CID 59098195
(6S)-6-(4-chlorophenyl)azepan-2-one
CID 97102781
4-(4-chlorophenyl)cyclohexan-1-one
CID 14617880

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)diazinan-3-one?
The IUPAC name of 6-(4-chlorophenyl)diazinan-3-one (CID 139782184) is 6-(4-chlorophenyl)diazinan-3-one.
What is the SMILES notation for 6-(4-chlorophenyl)diazinan-3-one?
The canonical SMILES for 6-(4-chlorophenyl)diazinan-3-one is O=C1CCC(c2ccc(Cl)cc2)NN1.
What is the InChIKey of 6-(4-chlorophenyl)diazinan-3-one?
The InChIKey is OMRPUHFQBDMGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c11-8-3-1-7(2-4-8)9-5-6-10(14)13-12-9/h1-4,9,12H,5-6H2,(H,13,14).
What are the key properties of 6-(4-chlorophenyl)diazinan-3-one?
6-(4-chlorophenyl)diazinan-3-one has a molecular weight of 210.66 g/mol, XLogP of 1.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)diazinan-3-one is sourced from PubChem (CID 139782184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).