4,5,6,7,8,9-hexahydrocycloocta[d][1,2]oxazole

C9H13NO — CID 57327897

IUPAC4,5,6,7,8,9-hexahydrocycloocta[d][1,2]oxazole
SMILESc1noc2c1CCCCCC2
InChIInChI=1S/C9H13NO/c1-2-4-6-9-8(5-3-1)7-10-11-9/h7H,1-6H2
InChIKeyLXUREFUCZXXTMO-UHFFFAOYSA-N
MW151.21 g/mol
LogP2.33
Rot. Bonds

About 4,5,6,7,8,9-hexahydrocycloocta[d][1,2]oxazole

4,5,6,7,8,9-hexahydrocycloocta[d][1,2]oxazole (PubChem CID 57327897) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 4,5,6,7,8,9-hexahydrocycloocta[d][1,2]oxazole.

Molecular Properties

Compound Name4,5,6,7,8,9-hexahydrocycloocta[d][1,2]oxazole
PubChem CID57327897
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name4,5,6,7,8,9-hexahydrocycloocta[d][1,2]oxazole
SMILESc1noc2c1CCCCCC2
InChIInChI=1S/C9H13NO/c1-2-4-6-9-8(5-3-1)7-10-11-9/h7H,1-6H2
InChIKeyLXUREFUCZXXTMO-UHFFFAOYSA-N
XLogP2.33
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7,8,9-hexahydrocycloocta[d][1,2]oxazole?
The IUPAC name of 4,5,6,7,8,9-hexahydrocycloocta[d][1,2]oxazole (CID 57327897) is 4,5,6,7,8,9-hexahydrocycloocta[d][1,2]oxazole.
What is the SMILES notation for 4,5,6,7,8,9-hexahydrocycloocta[d][1,2]oxazole?
The canonical SMILES for 4,5,6,7,8,9-hexahydrocycloocta[d][1,2]oxazole is c1noc2c1CCCCCC2.
What is the InChIKey of 4,5,6,7,8,9-hexahydrocycloocta[d][1,2]oxazole?
The InChIKey is LXUREFUCZXXTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-2-4-6-9-8(5-3-1)7-10-11-9/h7H,1-6H2.
What are the key properties of 4,5,6,7,8,9-hexahydrocycloocta[d][1,2]oxazole?
4,5,6,7,8,9-hexahydrocycloocta[d][1,2]oxazole has a molecular weight of 151.21 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7,8,9-hexahydrocycloocta[d][1,2]oxazole is sourced from PubChem (CID 57327897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).