2-propan-2-yl-1-(pyrrolidine-1-carbonyl)-2-azaspiro[3.4]octan-3-one

C15H24N2O2 — CID 110204008

IUPAC2-propan-2-yl-1-(pyrrolidine-1-carbonyl)-2-azaspiro[3.4]octan-3-one
SMILESCC(C)N1C(=O)C2(CCCC2)C1C(=O)N1CCCC1
InChIInChI=1S/C15H24N2O2/c1-11(2)17-12(13(18)16-9-5-6-10-16)15(14(17)19)7-3-4-8-15/h11-12H,3-10H2,1-2H3
InChIKeySLLAMEPXCMWGKX-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.79
Rot. Bonds2

About 2-propan-2-yl-1-(pyrrolidine-1-carbonyl)-2-azaspiro[3.4]octan-3-one

2-propan-2-yl-1-(pyrrolidine-1-carbonyl)-2-azaspiro[3.4]octan-3-one (PubChem CID 110204008) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-propan-2-yl-1-(pyrrolidine-1-carbonyl)-2-azaspiro[3.4]octan-3-one.

Molecular Properties

Compound Name2-propan-2-yl-1-(pyrrolidine-1-carbonyl)-2-azaspiro[3.4]octan-3-one
PubChem CID110204008
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-propan-2-yl-1-(pyrrolidine-1-carbonyl)-2-azaspiro[3.4]octan-3-one
SMILESCC(C)N1C(=O)C2(CCCC2)C1C(=O)N1CCCC1
InChIInChI=1S/C15H24N2O2/c1-11(2)17-12(13(18)16-9-5-6-10-16)15(14(17)19)7-3-4-8-15/h11-12H,3-10H2,1-2H3
InChIKeySLLAMEPXCMWGKX-UHFFFAOYSA-N
XLogP1.79
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1-(pyrrolidine-1-carbonyl)-2-azaspiro[3.4]octan-3-one?
The IUPAC name of 2-propan-2-yl-1-(pyrrolidine-1-carbonyl)-2-azaspiro[3.4]octan-3-one (CID 110204008) is 2-propan-2-yl-1-(pyrrolidine-1-carbonyl)-2-azaspiro[3.4]octan-3-one.
What is the SMILES notation for 2-propan-2-yl-1-(pyrrolidine-1-carbonyl)-2-azaspiro[3.4]octan-3-one?
The canonical SMILES for 2-propan-2-yl-1-(pyrrolidine-1-carbonyl)-2-azaspiro[3.4]octan-3-one is CC(C)N1C(=O)C2(CCCC2)C1C(=O)N1CCCC1.
What is the InChIKey of 2-propan-2-yl-1-(pyrrolidine-1-carbonyl)-2-azaspiro[3.4]octan-3-one?
The InChIKey is SLLAMEPXCMWGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(2)17-12(13(18)16-9-5-6-10-16)15(14(17)19)7-3-4-8-15/h11-12H,3-10H2,1-2H3.
What are the key properties of 2-propan-2-yl-1-(pyrrolidine-1-carbonyl)-2-azaspiro[3.4]octan-3-one?
2-propan-2-yl-1-(pyrrolidine-1-carbonyl)-2-azaspiro[3.4]octan-3-one has a molecular weight of 264.37 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1-(pyrrolidine-1-carbonyl)-2-azaspiro[3.4]octan-3-one is sourced from PubChem (CID 110204008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).