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

C11H22N2O2 — CID 105467990

IUPAC1-(3-hydroxybutyl)-2-propan-2-yldiazinan-3-one
SMILESCC(O)CCN1CCCC(=O)N1C(C)C
InChIInChI=1S/C11H22N2O2/c1-9(2)13-11(15)5-4-7-12(13)8-6-10(3)14/h9-10,14H,4-8H2,1-3H3
InChIKeyVLKGUGAEGMWLCX-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.01
Rot. Bonds4

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

1-(3-hydroxybutyl)-2-propan-2-yldiazinan-3-one (PubChem CID 105467990) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-(3-hydroxybutyl)-2-propan-2-yldiazinan-3-one.

Molecular Properties

Compound Name1-(3-hydroxybutyl)-2-propan-2-yldiazinan-3-one
PubChem CID105467990
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-(3-hydroxybutyl)-2-propan-2-yldiazinan-3-one
SMILESCC(O)CCN1CCCC(=O)N1C(C)C
InChIInChI=1S/C11H22N2O2/c1-9(2)13-11(15)5-4-7-12(13)8-6-10(3)14/h9-10,14H,4-8H2,1-3H3
InChIKeyVLKGUGAEGMWLCX-UHFFFAOYSA-N
XLogP1.01
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-amino-2-methylpropyl)-2-propan-2-yldiazinan-3-one
CID 105467128
1-(3-hydroxypropyl)-2-propan-2-ylpyrazolidin-3-one
CID 105442196
2-(3-oxo-2-propan-2-ylpyrazolidin-1-yl)acetic acid
CID 105442055
2-(3-hydroxybutyl)oxazinan-3-one
CID 105435473
2-(3-hydroxybutyl)-1-(2-methylpropyl)pyrazolidin-3-one
CID 105468014
4-(dimethylamino)butan-2-ol;1-methylpyrrolidine-2,5-dione
CID 143206190
2-(2-hydroxyethyl)-1-propan-2-yldiazinan-3-one
CID 105442215
1-ethylpyrrolidin-2-one;propane-1,2-diol
CID 69270275
2-(3-aminobutyl)-1-ethyldiazinan-3-one
CID 105452412
1-[(2S)-pentan-2-yl]pyrrolidin-2-one
CID 102393193
1-(3-hydroxypropyl)-2-(2-methylpropyl)diazinan-3-one
CID 105467991
1-(5-hydroxy-4-methylpentyl)pyrrolidin-2-one
CID 106159349

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxybutyl)-2-propan-2-yldiazinan-3-one?
The IUPAC name of 1-(3-hydroxybutyl)-2-propan-2-yldiazinan-3-one (CID 105467990) is 1-(3-hydroxybutyl)-2-propan-2-yldiazinan-3-one.
What is the SMILES notation for 1-(3-hydroxybutyl)-2-propan-2-yldiazinan-3-one?
The canonical SMILES for 1-(3-hydroxybutyl)-2-propan-2-yldiazinan-3-one is CC(O)CCN1CCCC(=O)N1C(C)C.
What is the InChIKey of 1-(3-hydroxybutyl)-2-propan-2-yldiazinan-3-one?
The InChIKey is VLKGUGAEGMWLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(2)13-11(15)5-4-7-12(13)8-6-10(3)14/h9-10,14H,4-8H2,1-3H3.
What are the key properties of 1-(3-hydroxybutyl)-2-propan-2-yldiazinan-3-one?
1-(3-hydroxybutyl)-2-propan-2-yldiazinan-3-one has a molecular weight of 214.31 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxybutyl)-2-propan-2-yldiazinan-3-one is sourced from PubChem (CID 105467990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).