2-(2-hydroxyethyl)-1-propan-2-yldiazinan-3-one

C9H18N2O2 — CID 105442215

IUPAC2-(2-hydroxyethyl)-1-propan-2-yldiazinan-3-one
SMILESCC(C)N1CCCC(=O)N1CCO
InChIInChI=1S/C9H18N2O2/c1-8(2)10-5-3-4-9(13)11(10)6-7-12/h8,12H,3-7H2,1-2H3
InChIKeyVDDKXLAVDHARCJ-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.23
Rot. Bonds3

About 2-(2-hydroxyethyl)-1-propan-2-yldiazinan-3-one

2-(2-hydroxyethyl)-1-propan-2-yldiazinan-3-one (PubChem CID 105442215) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-1-propan-2-yldiazinan-3-one.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-1-propan-2-yldiazinan-3-one
PubChem CID105442215
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-(2-hydroxyethyl)-1-propan-2-yldiazinan-3-one
SMILESCC(C)N1CCCC(=O)N1CCO
InChIInChI=1S/C9H18N2O2/c1-8(2)10-5-3-4-9(13)11(10)6-7-12/h8,12H,3-7H2,1-2H3
InChIKeyVDDKXLAVDHARCJ-UHFFFAOYSA-N
XLogP0.23
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methylpyrrolidin-2-one;propan-1-ol
CID 22151758
1-(3-hydroxypropyl)-2-(2-methylpropyl)diazinan-3-one
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1-[(2R)-1-hydroxypropan-2-yl]pyrrolidin-2-one
CID 104550452
arsane;1-(2-hydroxyethyl)pyrrolidin-2-one
CID 174911308
1-(5-hydroxy-4-methylpentyl)pyrrolidin-2-one
CID 106159349
1-methylpyrrolidin-2-one;2-octyldodecan-1-ol
CID 162237507
2-(2-hydroxyethyl)-1-phenyldiazinan-3-one
CID 105475836
1-(1-aminopropan-2-yl)-2-methyldiazinan-3-one
CID 105434825
1-ethylpyrrolidin-2-one;propane-1,2-diol
CID 69270275
1-(4-hydroxy-2-methylbutyl)pyrrolidin-2-one
CID 104550322
3-methyl-2-[(2-oxopyrrolidin-1-yl)methyl]butanoic acid
CID 65220431
1-(3-hydroxybutyl)-2-propan-2-yldiazinan-3-one
CID 105467990

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-1-propan-2-yldiazinan-3-one?
The IUPAC name of 2-(2-hydroxyethyl)-1-propan-2-yldiazinan-3-one (CID 105442215) is 2-(2-hydroxyethyl)-1-propan-2-yldiazinan-3-one.
What is the SMILES notation for 2-(2-hydroxyethyl)-1-propan-2-yldiazinan-3-one?
The canonical SMILES for 2-(2-hydroxyethyl)-1-propan-2-yldiazinan-3-one is CC(C)N1CCCC(=O)N1CCO.
What is the InChIKey of 2-(2-hydroxyethyl)-1-propan-2-yldiazinan-3-one?
The InChIKey is VDDKXLAVDHARCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-8(2)10-5-3-4-9(13)11(10)6-7-12/h8,12H,3-7H2,1-2H3.
What are the key properties of 2-(2-hydroxyethyl)-1-propan-2-yldiazinan-3-one?
2-(2-hydroxyethyl)-1-propan-2-yldiazinan-3-one has a molecular weight of 186.25 g/mol, XLogP of 0.23, 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-propan-2-yldiazinan-3-one is sourced from PubChem (CID 105442215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).