2-(2-hydroxyethyl)-1-phenyldiazinan-3-one

C12H16N2O2 — CID 105475836

IUPAC2-(2-hydroxyethyl)-1-phenyldiazinan-3-one
SMILESO=C1CCCN(c2ccccc2)N1CCO
InChIInChI=1S/C12H16N2O2/c15-10-9-14-12(16)7-4-8-13(14)11-5-2-1-3-6-11/h1-3,5-6,15H,4,7-10H2
InChIKeyMQWDSKUSSHGZRZ-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.02
Rot. Bonds3

About 2-(2-hydroxyethyl)-1-phenyldiazinan-3-one

2-(2-hydroxyethyl)-1-phenyldiazinan-3-one (PubChem CID 105475836) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-1-phenyldiazinan-3-one.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-1-phenyldiazinan-3-one
PubChem CID105475836
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-(2-hydroxyethyl)-1-phenyldiazinan-3-one
SMILESO=C1CCCN(c2ccccc2)N1CCO
InChIInChI=1S/C12H16N2O2/c15-10-9-14-12(16)7-4-8-13(14)11-5-2-1-3-6-11/h1-3,5-6,15H,4,7-10H2
InChIKeyMQWDSKUSSHGZRZ-UHFFFAOYSA-N
XLogP1.02
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-hydroxyethyl)-1-propan-2-yldiazinan-3-one
CID 105442215
arsane;1-(2-hydroxyethyl)pyrrolidin-2-one
CID 174911308
1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyrrolidin-2-one
CID 107861552
1-(2-oxopropyl)-2-phenyldiazinan-3-one
CID 105491114
2-(3-hydroxypropyl)-5-methyl-1-phenylpyrazolidin-3-one
CID 105494695
1-(3-hydroxyphenyl)pyrrolidin-2-one
CID 736761
1-[(1R)-2-hydroxy-1-phenylethyl]piperidine-2,6-dione
CID 107863789
2-[2-(3-methyl-4-nitrophenoxy)ethyl]-1-phenylpyrazolidin-3-one
CID 2961399
6-(aminomethyl)-1-phenylazepan-2-one
CID 84683954
1-(2-phenylacetyl)pyrrolidin-2-one
CID 13011419
1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]azepane-2,7-dione
CID 107861522
1-methylpyrrolidin-2-one;propan-1-ol
CID 22151758

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-1-phenyldiazinan-3-one?
The IUPAC name of 2-(2-hydroxyethyl)-1-phenyldiazinan-3-one (CID 105475836) is 2-(2-hydroxyethyl)-1-phenyldiazinan-3-one.
What is the SMILES notation for 2-(2-hydroxyethyl)-1-phenyldiazinan-3-one?
The canonical SMILES for 2-(2-hydroxyethyl)-1-phenyldiazinan-3-one is O=C1CCCN(c2ccccc2)N1CCO.
What is the InChIKey of 2-(2-hydroxyethyl)-1-phenyldiazinan-3-one?
The InChIKey is MQWDSKUSSHGZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c15-10-9-14-12(16)7-4-8-13(14)11-5-2-1-3-6-11/h1-3,5-6,15H,4,7-10H2.
What are the key properties of 2-(2-hydroxyethyl)-1-phenyldiazinan-3-one?
2-(2-hydroxyethyl)-1-phenyldiazinan-3-one has a molecular weight of 220.27 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-1-phenyldiazinan-3-one is sourced from PubChem (CID 105475836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).