1,3-oxazinan-2-one;propane

C7H15NO2 — CID 90909339

IUPAC1,3-oxazinan-2-one;propane
SMILESCCC.O=C1NCCCO1
InChIInChI=1S/C4H7NO2.C3H8/c6-4-5-2-1-3-7-4;1-3-2/h1-3H2,(H,5,6);3H2,1-2H3
InChIKeyBLFGCDPALTXGTP-UHFFFAOYSA-N
MW145.20 g/mol
LogP1.53
Rot. Bonds

About 1,3-oxazinan-2-one;propane

1,3-oxazinan-2-one;propane (PubChem CID 90909339) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 1,3-oxazinan-2-one;propane.

Molecular Properties

Compound Name1,3-oxazinan-2-one;propane
PubChem CID90909339
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name1,3-oxazinan-2-one;propane
SMILESCCC.O=C1NCCCO1
InChIInChI=1S/C4H7NO2.C3H8/c6-4-5-2-1-3-7-4;1-3-2/h1-3H2,(H,5,6);3H2,1-2H3
InChIKeyBLFGCDPALTXGTP-UHFFFAOYSA-N
XLogP1.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-oxazinan-2-one;propane?
The IUPAC name of 1,3-oxazinan-2-one;propane (CID 90909339) is 1,3-oxazinan-2-one;propane.
What is the SMILES notation for 1,3-oxazinan-2-one;propane?
The canonical SMILES for 1,3-oxazinan-2-one;propane is CCC.O=C1NCCCO1.
What is the InChIKey of 1,3-oxazinan-2-one;propane?
The InChIKey is BLFGCDPALTXGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2.C3H8/c6-4-5-2-1-3-7-4;1-3-2/h1-3H2,(H,5,6);3H2,1-2H3.
What are the key properties of 1,3-oxazinan-2-one;propane?
1,3-oxazinan-2-one;propane has a molecular weight of 145.20 g/mol, XLogP of 1.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazinan-2-one;propane is sourced from PubChem (CID 90909339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).