[3-(2,3-dihydro-1H-inden-5-yl)-5,6-dihydro-4H-oxazin-6-yl]methanol

C14H17NO2 — CID 25197533

IUPAC[3-(2,3-dihydro-1H-inden-5-yl)-5,6-dihydro-4H-oxazin-6-yl]methanol
SMILESOCC1CCC(c2ccc3c(c2)CCC3)=NO1
InChIInChI=1S/C14H17NO2/c16-9-13-6-7-14(15-17-13)12-5-4-10-2-1-3-11(10)8-12/h4-5,8,13,16H,1-3,6-7,9H2
InChIKeyBOZDQFOSBVOGEB-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.05
Rot. Bonds2

About [3-(2,3-dihydro-1H-inden-5-yl)-5,6-dihydro-4H-oxazin-6-yl]methanol

[3-(2,3-dihydro-1H-inden-5-yl)-5,6-dihydro-4H-oxazin-6-yl]methanol (PubChem CID 25197533) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is [3-(2,3-dihydro-1H-inden-5-yl)-5,6-dihydro-4H-oxazin-6-yl]methanol.

Molecular Properties

Compound Name[3-(2,3-dihydro-1H-inden-5-yl)-5,6-dihydro-4H-oxazin-6-yl]methanol
PubChem CID25197533
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name[3-(2,3-dihydro-1H-inden-5-yl)-5,6-dihydro-4H-oxazin-6-yl]methanol
SMILESOCC1CCC(c2ccc3c(c2)CCC3)=NO1
InChIInChI=1S/C14H17NO2/c16-9-13-6-7-14(15-17-13)12-5-4-10-2-1-3-11(10)8-12/h4-5,8,13,16H,1-3,6-7,9H2
InChIKeyBOZDQFOSBVOGEB-UHFFFAOYSA-N
XLogP2.05
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(2,3-dihydro-1H-inden-5-yl)-5,6-dihydro-4H-oxazin-6-yl]methanol?
The IUPAC name of [3-(2,3-dihydro-1H-inden-5-yl)-5,6-dihydro-4H-oxazin-6-yl]methanol (CID 25197533) is [3-(2,3-dihydro-1H-inden-5-yl)-5,6-dihydro-4H-oxazin-6-yl]methanol.
What is the SMILES notation for [3-(2,3-dihydro-1H-inden-5-yl)-5,6-dihydro-4H-oxazin-6-yl]methanol?
The canonical SMILES for [3-(2,3-dihydro-1H-inden-5-yl)-5,6-dihydro-4H-oxazin-6-yl]methanol is OCC1CCC(c2ccc3c(c2)CCC3)=NO1.
What is the InChIKey of [3-(2,3-dihydro-1H-inden-5-yl)-5,6-dihydro-4H-oxazin-6-yl]methanol?
The InChIKey is BOZDQFOSBVOGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c16-9-13-6-7-14(15-17-13)12-5-4-10-2-1-3-11(10)8-12/h4-5,8,13,16H,1-3,6-7,9H2.
What are the key properties of [3-(2,3-dihydro-1H-inden-5-yl)-5,6-dihydro-4H-oxazin-6-yl]methanol?
[3-(2,3-dihydro-1H-inden-5-yl)-5,6-dihydro-4H-oxazin-6-yl]methanol has a molecular weight of 231.29 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,3-dihydro-1H-inden-5-yl)-5,6-dihydro-4H-oxazin-6-yl]methanol is sourced from PubChem (CID 25197533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).