2-propan-2-yl-1-(pyrrolidine-1-carbonyl)-2-azaspiro[3.5]nonan-3-one

C16H26N2O2 — CID 110204019

IUPAC2-propan-2-yl-1-(pyrrolidine-1-carbonyl)-2-azaspiro[3.5]nonan-3-one
SMILESCC(C)N1C(=O)C2(CCCCC2)C1C(=O)N1CCCC1
InChIInChI=1S/C16H26N2O2/c1-12(2)18-13(14(19)17-10-6-7-11-17)16(15(18)20)8-4-3-5-9-16/h12-13H,3-11H2,1-2H3
InChIKeyXZIOFEPNQNMDCP-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.18
Rot. Bonds2

About 2-propan-2-yl-1-(pyrrolidine-1-carbonyl)-2-azaspiro[3.5]nonan-3-one

2-propan-2-yl-1-(pyrrolidine-1-carbonyl)-2-azaspiro[3.5]nonan-3-one (PubChem CID 110204019) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-propan-2-yl-1-(pyrrolidine-1-carbonyl)-2-azaspiro[3.5]nonan-3-one.

Molecular Properties

Compound Name2-propan-2-yl-1-(pyrrolidine-1-carbonyl)-2-azaspiro[3.5]nonan-3-one
PubChem CID110204019
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-propan-2-yl-1-(pyrrolidine-1-carbonyl)-2-azaspiro[3.5]nonan-3-one
SMILESCC(C)N1C(=O)C2(CCCCC2)C1C(=O)N1CCCC1
InChIInChI=1S/C16H26N2O2/c1-12(2)18-13(14(19)17-10-6-7-11-17)16(15(18)20)8-4-3-5-9-16/h12-13H,3-11H2,1-2H3
InChIKeyXZIOFEPNQNMDCP-UHFFFAOYSA-N
XLogP2.18
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.18
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[3.5]nonan-3-one?
The IUPAC name of 2-propan-2-yl-1-(pyrrolidine-1-carbonyl)-2-azaspiro[3.5]nonan-3-one (CID 110204019) is 2-propan-2-yl-1-(pyrrolidine-1-carbonyl)-2-azaspiro[3.5]nonan-3-one.
What is the SMILES notation for 2-propan-2-yl-1-(pyrrolidine-1-carbonyl)-2-azaspiro[3.5]nonan-3-one?
The canonical SMILES for 2-propan-2-yl-1-(pyrrolidine-1-carbonyl)-2-azaspiro[3.5]nonan-3-one is CC(C)N1C(=O)C2(CCCCC2)C1C(=O)N1CCCC1.
What is the InChIKey of 2-propan-2-yl-1-(pyrrolidine-1-carbonyl)-2-azaspiro[3.5]nonan-3-one?
The InChIKey is XZIOFEPNQNMDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(2)18-13(14(19)17-10-6-7-11-17)16(15(18)20)8-4-3-5-9-16/h12-13H,3-11H2,1-2H3.
What are the key properties of 2-propan-2-yl-1-(pyrrolidine-1-carbonyl)-2-azaspiro[3.5]nonan-3-one?
2-propan-2-yl-1-(pyrrolidine-1-carbonyl)-2-azaspiro[3.5]nonan-3-one has a molecular weight of 278.40 g/mol, XLogP of 2.18, 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[3.5]nonan-3-one is sourced from PubChem (CID 110204019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).