7-[(1-propan-2-ylcyclopropyl)methyl]-4-oxa-7-azaspiro[2.5]octane

C13H23NO — CID 170384234

IUPAC7-[(1-propan-2-ylcyclopropyl)methyl]-4-oxa-7-azaspiro[2.5]octane
SMILESCC(C)C1(CN2CCOC3(CC3)C2)CC1
InChIInChI=1S/C13H23NO/c1-11(2)12(3-4-12)9-14-7-8-15-13(10-14)5-6-13/h11H,3-10H2,1-2H3
InChIKeyLNYDUDSFFGKMCL-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.29
Rot. Bonds3

About 7-[(1-propan-2-ylcyclopropyl)methyl]-4-oxa-7-azaspiro[2.5]octane

7-[(1-propan-2-ylcyclopropyl)methyl]-4-oxa-7-azaspiro[2.5]octane (PubChem CID 170384234) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 7-[(1-propan-2-ylcyclopropyl)methyl]-4-oxa-7-azaspiro[2.5]octane.

Molecular Properties

Compound Name7-[(1-propan-2-ylcyclopropyl)methyl]-4-oxa-7-azaspiro[2.5]octane
PubChem CID170384234
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name7-[(1-propan-2-ylcyclopropyl)methyl]-4-oxa-7-azaspiro[2.5]octane
SMILESCC(C)C1(CN2CCOC3(CC3)C2)CC1
InChIInChI=1S/C13H23NO/c1-11(2)12(3-4-12)9-14-7-8-15-13(10-14)5-6-13/h11H,3-10H2,1-2H3
InChIKeyLNYDUDSFFGKMCL-UHFFFAOYSA-N
XLogP2.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-[(1-propan-2-ylcyclopropyl)methyl]-4-oxa-7-azaspiro[2.5]octane?
The IUPAC name of 7-[(1-propan-2-ylcyclopropyl)methyl]-4-oxa-7-azaspiro[2.5]octane (CID 170384234) is 7-[(1-propan-2-ylcyclopropyl)methyl]-4-oxa-7-azaspiro[2.5]octane.
What is the SMILES notation for 7-[(1-propan-2-ylcyclopropyl)methyl]-4-oxa-7-azaspiro[2.5]octane?
The canonical SMILES for 7-[(1-propan-2-ylcyclopropyl)methyl]-4-oxa-7-azaspiro[2.5]octane is CC(C)C1(CN2CCOC3(CC3)C2)CC1.
What is the InChIKey of 7-[(1-propan-2-ylcyclopropyl)methyl]-4-oxa-7-azaspiro[2.5]octane?
The InChIKey is LNYDUDSFFGKMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-11(2)12(3-4-12)9-14-7-8-15-13(10-14)5-6-13/h11H,3-10H2,1-2H3.
What are the key properties of 7-[(1-propan-2-ylcyclopropyl)methyl]-4-oxa-7-azaspiro[2.5]octane?
7-[(1-propan-2-ylcyclopropyl)methyl]-4-oxa-7-azaspiro[2.5]octane has a molecular weight of 209.33 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1-propan-2-ylcyclopropyl)methyl]-4-oxa-7-azaspiro[2.5]octane is sourced from PubChem (CID 170384234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).