2-(cyclopentyloxymethyl)-3,4-dihydro-2H-1,4-benzoxazine

C14H19NO2 — CID 117051051

IUPAC2-(cyclopentyloxymethyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESc1ccc2c(c1)NCC(COC1CCCC1)O2
InChIInChI=1S/C14H19NO2/c1-2-6-11(5-1)16-10-12-9-15-13-7-3-4-8-14(13)17-12/h3-4,7-8,11-12,15H,1-2,5-6,9-10H2
InChIKeyKSDBHKSUYAAIRG-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.82
Rot. Bonds3

About 2-(cyclopentyloxymethyl)-3,4-dihydro-2H-1,4-benzoxazine

2-(cyclopentyloxymethyl)-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 117051051) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(cyclopentyloxymethyl)-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name2-(cyclopentyloxymethyl)-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID117051051
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-(cyclopentyloxymethyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESc1ccc2c(c1)NCC(COC1CCCC1)O2
InChIInChI=1S/C14H19NO2/c1-2-6-11(5-1)16-10-12-9-15-13-7-3-4-8-14(13)17-12/h3-4,7-8,11-12,15H,1-2,5-6,9-10H2
InChIKeyKSDBHKSUYAAIRG-UHFFFAOYSA-N
XLogP2.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentyloxymethyl)-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 2-(cyclopentyloxymethyl)-3,4-dihydro-2H-1,4-benzoxazine (CID 117051051) is 2-(cyclopentyloxymethyl)-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 2-(cyclopentyloxymethyl)-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 2-(cyclopentyloxymethyl)-3,4-dihydro-2H-1,4-benzoxazine is c1ccc2c(c1)NCC(COC1CCCC1)O2.
What is the InChIKey of 2-(cyclopentyloxymethyl)-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is KSDBHKSUYAAIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-6-11(5-1)16-10-12-9-15-13-7-3-4-8-14(13)17-12/h3-4,7-8,11-12,15H,1-2,5-6,9-10H2.
What are the key properties of 2-(cyclopentyloxymethyl)-3,4-dihydro-2H-1,4-benzoxazine?
2-(cyclopentyloxymethyl)-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 233.31 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentyloxymethyl)-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 117051051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).