2,3,4,4a-tetrahydrocyclopenta[b][1,4]oxazine

C7H9NO — CID 160914528

IUPAC2,3,4,4a-tetrahydrocyclopenta[b][1,4]oxazine
SMILESC1=CC2NCCOC2=C1
InChIInChI=1S/C7H9NO/c1-2-6-7(3-1)9-5-4-8-6/h1-3,6,8H,4-5H2
InChIKeySRFOGKXMQVGHKJ-UHFFFAOYSA-N
MW123.15 g/mol
LogP0.43
Rot. Bonds

About 2,3,4,4a-tetrahydrocyclopenta[b][1,4]oxazine

2,3,4,4a-tetrahydrocyclopenta[b][1,4]oxazine (PubChem CID 160914528) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 2,3,4,4a-tetrahydrocyclopenta[b][1,4]oxazine.

Molecular Properties

Compound Name2,3,4,4a-tetrahydrocyclopenta[b][1,4]oxazine
PubChem CID160914528
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name2,3,4,4a-tetrahydrocyclopenta[b][1,4]oxazine
SMILESC1=CC2NCCOC2=C1
InChIInChI=1S/C7H9NO/c1-2-6-7(3-1)9-5-4-8-6/h1-3,6,8H,4-5H2
InChIKeySRFOGKXMQVGHKJ-UHFFFAOYSA-N
XLogP0.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a-tetrahydrocyclopenta[b][1,4]oxazine?
The IUPAC name of 2,3,4,4a-tetrahydrocyclopenta[b][1,4]oxazine (CID 160914528) is 2,3,4,4a-tetrahydrocyclopenta[b][1,4]oxazine.
What is the SMILES notation for 2,3,4,4a-tetrahydrocyclopenta[b][1,4]oxazine?
The canonical SMILES for 2,3,4,4a-tetrahydrocyclopenta[b][1,4]oxazine is C1=CC2NCCOC2=C1.
What is the InChIKey of 2,3,4,4a-tetrahydrocyclopenta[b][1,4]oxazine?
The InChIKey is SRFOGKXMQVGHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-2-6-7(3-1)9-5-4-8-6/h1-3,6,8H,4-5H2.
What are the key properties of 2,3,4,4a-tetrahydrocyclopenta[b][1,4]oxazine?
2,3,4,4a-tetrahydrocyclopenta[b][1,4]oxazine has a molecular weight of 123.15 g/mol, XLogP of 0.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a-tetrahydrocyclopenta[b][1,4]oxazine is sourced from PubChem (CID 160914528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).