7-methyl-2-pentan-2-ylspiro[4-azabicyclo[6.2.0]decane-3,3'-oxetane]-5-one

C17H29NO2 — CID 170341263

IUPAC7-methyl-2-pentan-2-ylspiro[4-azabicyclo[6.2.0]decane-3,3'-oxetane]-5-one
SMILESCCCC(C)C1C2CCC2C(C)CC(=O)NC12COC2
InChIInChI=1S/C17H29NO2/c1-4-5-11(2)16-14-7-6-13(14)12(3)8-15(19)18-17(16)9-20-10-17/h11-14,16H,4-10H2,1-3H3,(H,18,19)
InChIKeyBEAFEDDDJMHLEV-UHFFFAOYSA-N
MW279.42 g/mol
LogP2.99
Rot. Bonds3

About 7-methyl-2-pentan-2-ylspiro[4-azabicyclo[6.2.0]decane-3,3'-oxetane]-5-one

7-methyl-2-pentan-2-ylspiro[4-azabicyclo[6.2.0]decane-3,3'-oxetane]-5-one (PubChem CID 170341263) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 7-methyl-2-pentan-2-ylspiro[4-azabicyclo[6.2.0]decane-3,3'-oxetane]-5-one.

Molecular Properties

Compound Name7-methyl-2-pentan-2-ylspiro[4-azabicyclo[6.2.0]decane-3,3'-oxetane]-5-one
PubChem CID170341263
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name7-methyl-2-pentan-2-ylspiro[4-azabicyclo[6.2.0]decane-3,3'-oxetane]-5-one
SMILESCCCC(C)C1C2CCC2C(C)CC(=O)NC12COC2
InChIInChI=1S/C17H29NO2/c1-4-5-11(2)16-14-7-6-13(14)12(3)8-15(19)18-17(16)9-20-10-17/h11-14,16H,4-10H2,1-3H3,(H,18,19)
InChIKeyBEAFEDDDJMHLEV-UHFFFAOYSA-N
XLogP2.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-pentan-2-ylspiro[4-azabicyclo[6.2.0]decane-3,3'-oxetane]-5-one?
The IUPAC name of 7-methyl-2-pentan-2-ylspiro[4-azabicyclo[6.2.0]decane-3,3'-oxetane]-5-one (CID 170341263) is 7-methyl-2-pentan-2-ylspiro[4-azabicyclo[6.2.0]decane-3,3'-oxetane]-5-one.
What is the SMILES notation for 7-methyl-2-pentan-2-ylspiro[4-azabicyclo[6.2.0]decane-3,3'-oxetane]-5-one?
The canonical SMILES for 7-methyl-2-pentan-2-ylspiro[4-azabicyclo[6.2.0]decane-3,3'-oxetane]-5-one is CCCC(C)C1C2CCC2C(C)CC(=O)NC12COC2.
What is the InChIKey of 7-methyl-2-pentan-2-ylspiro[4-azabicyclo[6.2.0]decane-3,3'-oxetane]-5-one?
The InChIKey is BEAFEDDDJMHLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-4-5-11(2)16-14-7-6-13(14)12(3)8-15(19)18-17(16)9-20-10-17/h11-14,16H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 7-methyl-2-pentan-2-ylspiro[4-azabicyclo[6.2.0]decane-3,3'-oxetane]-5-one?
7-methyl-2-pentan-2-ylspiro[4-azabicyclo[6.2.0]decane-3,3'-oxetane]-5-one has a molecular weight of 279.42 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-pentan-2-ylspiro[4-azabicyclo[6.2.0]decane-3,3'-oxetane]-5-one is sourced from PubChem (CID 170341263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).