(3S,4S)-3-cyclopropyl-5-oxa-2-azaspiro[3.4]octane

C9H15NO — CID 124710254

IUPAC(3S,4S)-3-cyclopropyl-5-oxa-2-azaspiro[3.4]octane
SMILESC1CO[C@@]2(C1)CN[C@H]2C1CC1
InChIInChI=1S/C9H15NO/c1-4-9(11-5-1)6-10-8(9)7-2-3-7/h7-8,10H,1-6H2/t8-,9-/m0/s1
InChIKeyUATQYOHYZJQRNZ-IUCAKERBSA-N
MW153.22 g/mol
LogP0.92
Rot. Bonds1

About (3S,4S)-3-cyclopropyl-5-oxa-2-azaspiro[3.4]octane

(3S,4S)-3-cyclopropyl-5-oxa-2-azaspiro[3.4]octane (PubChem CID 124710254) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (3S,4S)-3-cyclopropyl-5-oxa-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name(3S,4S)-3-cyclopropyl-5-oxa-2-azaspiro[3.4]octane
PubChem CID124710254
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(3S,4S)-3-cyclopropyl-5-oxa-2-azaspiro[3.4]octane
SMILESC1CO[C@@]2(C1)CN[C@H]2C1CC1
InChIInChI=1S/C9H15NO/c1-4-9(11-5-1)6-10-8(9)7-2-3-7/h7-8,10H,1-6H2/t8-,9-/m0/s1
InChIKeyUATQYOHYZJQRNZ-IUCAKERBSA-N
XLogP0.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-cyclopropyl-5-oxa-2-azaspiro[3.4]octane?
The IUPAC name of (3S,4S)-3-cyclopropyl-5-oxa-2-azaspiro[3.4]octane (CID 124710254) is (3S,4S)-3-cyclopropyl-5-oxa-2-azaspiro[3.4]octane.
What is the SMILES notation for (3S,4S)-3-cyclopropyl-5-oxa-2-azaspiro[3.4]octane?
The canonical SMILES for (3S,4S)-3-cyclopropyl-5-oxa-2-azaspiro[3.4]octane is C1CO[C@@]2(C1)CN[C@H]2C1CC1.
What is the InChIKey of (3S,4S)-3-cyclopropyl-5-oxa-2-azaspiro[3.4]octane?
The InChIKey is UATQYOHYZJQRNZ-IUCAKERBSA-N. The full InChI is InChI=1S/C9H15NO/c1-4-9(11-5-1)6-10-8(9)7-2-3-7/h7-8,10H,1-6H2/t8-,9-/m0/s1.
What are the key properties of (3S,4S)-3-cyclopropyl-5-oxa-2-azaspiro[3.4]octane?
(3S,4S)-3-cyclopropyl-5-oxa-2-azaspiro[3.4]octane has a molecular weight of 153.22 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-cyclopropyl-5-oxa-2-azaspiro[3.4]octane is sourced from PubChem (CID 124710254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).