3-(3-hydroxypropyl)-4a,5,6,7,8,8a-hexahydro-4H-benzo[e][1,3]oxazin-2-one

C11H19NO3 — CID 105466754

IUPAC3-(3-hydroxypropyl)-4a,5,6,7,8,8a-hexahydro-4H-benzo[e][1,3]oxazin-2-one
SMILESO=C1OC2CCCCC2CN1CCCO
InChIInChI=1S/C11H19NO3/c13-7-3-6-12-8-9-4-1-2-5-10(9)15-11(12)14/h9-10,13H,1-8H2
InChIKeyFSCDIKHZEWOAIN-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.38
Rot. Bonds3

About 3-(3-hydroxypropyl)-4a,5,6,7,8,8a-hexahydro-4H-benzo[e][1,3]oxazin-2-one

3-(3-hydroxypropyl)-4a,5,6,7,8,8a-hexahydro-4H-benzo[e][1,3]oxazin-2-one (PubChem CID 105466754) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-(3-hydroxypropyl)-4a,5,6,7,8,8a-hexahydro-4H-benzo[e][1,3]oxazin-2-one.

Molecular Properties

Compound Name3-(3-hydroxypropyl)-4a,5,6,7,8,8a-hexahydro-4H-benzo[e][1,3]oxazin-2-one
PubChem CID105466754
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name3-(3-hydroxypropyl)-4a,5,6,7,8,8a-hexahydro-4H-benzo[e][1,3]oxazin-2-one
SMILESO=C1OC2CCCCC2CN1CCCO
InChIInChI=1S/C11H19NO3/c13-7-3-6-12-8-9-4-1-2-5-10(9)15-11(12)14/h9-10,13H,1-8H2
InChIKeyFSCDIKHZEWOAIN-UHFFFAOYSA-N
XLogP1.38
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypropyl)-4a,5,6,7,8,8a-hexahydro-4H-benzo[e][1,3]oxazin-2-one?
The IUPAC name of 3-(3-hydroxypropyl)-4a,5,6,7,8,8a-hexahydro-4H-benzo[e][1,3]oxazin-2-one (CID 105466754) is 3-(3-hydroxypropyl)-4a,5,6,7,8,8a-hexahydro-4H-benzo[e][1,3]oxazin-2-one.
What is the SMILES notation for 3-(3-hydroxypropyl)-4a,5,6,7,8,8a-hexahydro-4H-benzo[e][1,3]oxazin-2-one?
The canonical SMILES for 3-(3-hydroxypropyl)-4a,5,6,7,8,8a-hexahydro-4H-benzo[e][1,3]oxazin-2-one is O=C1OC2CCCCC2CN1CCCO.
What is the InChIKey of 3-(3-hydroxypropyl)-4a,5,6,7,8,8a-hexahydro-4H-benzo[e][1,3]oxazin-2-one?
The InChIKey is FSCDIKHZEWOAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c13-7-3-6-12-8-9-4-1-2-5-10(9)15-11(12)14/h9-10,13H,1-8H2.
What are the key properties of 3-(3-hydroxypropyl)-4a,5,6,7,8,8a-hexahydro-4H-benzo[e][1,3]oxazin-2-one?
3-(3-hydroxypropyl)-4a,5,6,7,8,8a-hexahydro-4H-benzo[e][1,3]oxazin-2-one has a molecular weight of 213.28 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypropyl)-4a,5,6,7,8,8a-hexahydro-4H-benzo[e][1,3]oxazin-2-one is sourced from PubChem (CID 105466754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).