7-propan-2-yl-1-oxa-7-azaspiro[3.4]octane

C9H17NO — CID 90348103

IUPAC7-propan-2-yl-1-oxa-7-azaspiro[3.4]octane
SMILESCC(C)N1CCC2(CCO2)C1
InChIInChI=1S/C9H17NO/c1-8(2)10-5-3-9(7-10)4-6-11-9/h8H,3-7H2,1-2H3
InChIKeyCTCAVSAWKDJFTA-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.26
Rot. Bonds1

About 7-propan-2-yl-1-oxa-7-azaspiro[3.4]octane

7-propan-2-yl-1-oxa-7-azaspiro[3.4]octane (PubChem CID 90348103) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 7-propan-2-yl-1-oxa-7-azaspiro[3.4]octane.

Molecular Properties

Compound Name7-propan-2-yl-1-oxa-7-azaspiro[3.4]octane
PubChem CID90348103
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name7-propan-2-yl-1-oxa-7-azaspiro[3.4]octane
SMILESCC(C)N1CCC2(CCO2)C1
InChIInChI=1S/C9H17NO/c1-8(2)10-5-3-9(7-10)4-6-11-9/h8H,3-7H2,1-2H3
InChIKeyCTCAVSAWKDJFTA-UHFFFAOYSA-N
XLogP1.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-1-oxa-7-azaspiro[3.4]octane?
The IUPAC name of 7-propan-2-yl-1-oxa-7-azaspiro[3.4]octane (CID 90348103) is 7-propan-2-yl-1-oxa-7-azaspiro[3.4]octane.
What is the SMILES notation for 7-propan-2-yl-1-oxa-7-azaspiro[3.4]octane?
The canonical SMILES for 7-propan-2-yl-1-oxa-7-azaspiro[3.4]octane is CC(C)N1CCC2(CCO2)C1.
What is the InChIKey of 7-propan-2-yl-1-oxa-7-azaspiro[3.4]octane?
The InChIKey is CTCAVSAWKDJFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(2)10-5-3-9(7-10)4-6-11-9/h8H,3-7H2,1-2H3.
What are the key properties of 7-propan-2-yl-1-oxa-7-azaspiro[3.4]octane?
7-propan-2-yl-1-oxa-7-azaspiro[3.4]octane has a molecular weight of 155.24 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-1-oxa-7-azaspiro[3.4]octane is sourced from PubChem (CID 90348103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).