2-propan-2-yl-2,3,4,5-tetrahydro-1,3-oxazepine

C8H15NO — CID 18316425

IUPAC2-propan-2-yl-2,3,4,5-tetrahydro-1,3-oxazepine
SMILESCC(C)C1NCCC=CO1
InChIInChI=1S/C8H15NO/c1-7(2)8-9-5-3-4-6-10-8/h4,6-9H,3,5H2,1-2H3
InChIKeyLHAPLJIRYFRUDU-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.49
Rot. Bonds1

About 2-propan-2-yl-2,3,4,5-tetrahydro-1,3-oxazepine

2-propan-2-yl-2,3,4,5-tetrahydro-1,3-oxazepine (PubChem CID 18316425) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-propan-2-yl-2,3,4,5-tetrahydro-1,3-oxazepine.

Molecular Properties

Compound Name2-propan-2-yl-2,3,4,5-tetrahydro-1,3-oxazepine
PubChem CID18316425
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-propan-2-yl-2,3,4,5-tetrahydro-1,3-oxazepine
SMILESCC(C)C1NCCC=CO1
InChIInChI=1S/C8H15NO/c1-7(2)8-9-5-3-4-6-10-8/h4,6-9H,3,5H2,1-2H3
InChIKeyLHAPLJIRYFRUDU-UHFFFAOYSA-N
XLogP1.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-2,3,4,5-tetrahydro-1,3-oxazepine?
The IUPAC name of 2-propan-2-yl-2,3,4,5-tetrahydro-1,3-oxazepine (CID 18316425) is 2-propan-2-yl-2,3,4,5-tetrahydro-1,3-oxazepine.
What is the SMILES notation for 2-propan-2-yl-2,3,4,5-tetrahydro-1,3-oxazepine?
The canonical SMILES for 2-propan-2-yl-2,3,4,5-tetrahydro-1,3-oxazepine is CC(C)C1NCCC=CO1.
What is the InChIKey of 2-propan-2-yl-2,3,4,5-tetrahydro-1,3-oxazepine?
The InChIKey is LHAPLJIRYFRUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-7(2)8-9-5-3-4-6-10-8/h4,6-9H,3,5H2,1-2H3.
What are the key properties of 2-propan-2-yl-2,3,4,5-tetrahydro-1,3-oxazepine?
2-propan-2-yl-2,3,4,5-tetrahydro-1,3-oxazepine has a molecular weight of 141.21 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-2,3,4,5-tetrahydro-1,3-oxazepine is sourced from PubChem (CID 18316425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).