2-(3-aminopropyl)oxazinan-3-one

C7H14N2O2 — CID 105430957

IUPAC2-(3-aminopropyl)oxazinan-3-one
SMILESNCCCN1OCCCC1=O
InChIInChI=1S/C7H14N2O2/c8-4-2-5-9-7(10)3-1-6-11-9/h1-6,8H2
InChIKeyVTPJNPYBKUMJTF-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.11
Rot. Bonds3

About 2-(3-aminopropyl)oxazinan-3-one

2-(3-aminopropyl)oxazinan-3-one (PubChem CID 105430957) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-(3-aminopropyl)oxazinan-3-one.

Molecular Properties

Compound Name2-(3-aminopropyl)oxazinan-3-one
PubChem CID105430957
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name2-(3-aminopropyl)oxazinan-3-one
SMILESNCCCN1OCCCC1=O
InChIInChI=1S/C7H14N2O2/c8-4-2-5-9-7(10)3-1-6-11-9/h1-6,8H2
InChIKeyVTPJNPYBKUMJTF-UHFFFAOYSA-N
XLogP-0.11
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-hydroxypropyl)oxazinan-3-one
CID 105431183
3-(3-oxooxazinan-2-yl)propanal
CID 105430622
2-(3-hydroxybutyl)oxazinan-3-one
CID 105435473
1-(3-aminopropyl)azepane-2,7-dione
CID 43447536
4-(3-oxo-1,2-oxazolidin-2-yl)butanenitrile
CID 150030113
1-(4-aminobutyl)piperidine-2,6-dione
CID 43447549
4-(dimethylamino)-6-(3-oxooxazinan-2-yl)hexanoic acid
CID 59102707
1-(4-aminobutyl)pyrrolidin-2-one;hydrochloride
CID 56604167
2-(3-aminopropyl)-5-ethyl-1,2-oxazolidin-3-one
CID 105435153
3-(3-aminopropyl)-1,3-oxazinan-2-one
CID 62269865
2-[3-(8-azabicyclo[3.2.1]octan-3-yl)propyl]-1,2-oxazolidin-3-one
CID 146627422
ethane-1,2-diamine;1-methylpyrrolidin-2-one
CID 158124150

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)oxazinan-3-one?
The IUPAC name of 2-(3-aminopropyl)oxazinan-3-one (CID 105430957) is 2-(3-aminopropyl)oxazinan-3-one.
What is the SMILES notation for 2-(3-aminopropyl)oxazinan-3-one?
The canonical SMILES for 2-(3-aminopropyl)oxazinan-3-one is NCCCN1OCCCC1=O.
What is the InChIKey of 2-(3-aminopropyl)oxazinan-3-one?
The InChIKey is VTPJNPYBKUMJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c8-4-2-5-9-7(10)3-1-6-11-9/h1-6,8H2.
What are the key properties of 2-(3-aminopropyl)oxazinan-3-one?
2-(3-aminopropyl)oxazinan-3-one has a molecular weight of 158.20 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)oxazinan-3-one is sourced from PubChem (CID 105430957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).