2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine

C7H13NO — CID 43244748

IUPAC2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine
SMILESC1CC2NCCOC2C1
InChIInChI=1S/C7H13NO/c1-2-6-7(3-1)9-5-4-8-6/h6-8H,1-5H2
InChIKeyFVHPPCBSLJVBQR-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.53
Rot. Bonds

About 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine

2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine (PubChem CID 43244748) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine.

Molecular Properties

Compound Name2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine
PubChem CID43244748
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine
SMILESC1CC2NCCOC2C1
InChIInChI=1S/C7H13NO/c1-2-6-7(3-1)9-5-4-8-6/h6-8H,1-5H2
InChIKeyFVHPPCBSLJVBQR-UHFFFAOYSA-N
XLogP0.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.53
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,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine?
The IUPAC name of 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine (CID 43244748) is 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine.
What is the SMILES notation for 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine?
The canonical SMILES for 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine is C1CC2NCCOC2C1.
What is the InChIKey of 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine?
The InChIKey is FVHPPCBSLJVBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-2-6-7(3-1)9-5-4-8-6/h6-8H,1-5H2.
What are the key properties of 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine?
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine has a molecular weight of 127.19 g/mol, XLogP of 0.53, 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,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine is sourced from PubChem (CID 43244748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).