1,1-dimethyl-7-propan-2-yl-2-azaspiro[4.5]decan-3-one

C14H25NO — CID 107450626

IUPAC1,1-dimethyl-7-propan-2-yl-2-azaspiro[4.5]decan-3-one
SMILESCC(C)C1CCCC2(CC(=O)NC2(C)C)C1
InChIInChI=1S/C14H25NO/c1-10(2)11-6-5-7-14(8-11)9-12(16)15-13(14,3)4/h10-11H,5-9H2,1-4H3,(H,15,16)
InChIKeyNQPWYGAEPVPWGQ-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.12
Rot. Bonds1

About 1,1-dimethyl-7-propan-2-yl-2-azaspiro[4.5]decan-3-one

1,1-dimethyl-7-propan-2-yl-2-azaspiro[4.5]decan-3-one (PubChem CID 107450626) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1,1-dimethyl-7-propan-2-yl-2-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name1,1-dimethyl-7-propan-2-yl-2-azaspiro[4.5]decan-3-one
PubChem CID107450626
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1,1-dimethyl-7-propan-2-yl-2-azaspiro[4.5]decan-3-one
SMILESCC(C)C1CCCC2(CC(=O)NC2(C)C)C1
InChIInChI=1S/C14H25NO/c1-10(2)11-6-5-7-14(8-11)9-12(16)15-13(14,3)4/h10-11H,5-9H2,1-4H3,(H,15,16)
InChIKeyNQPWYGAEPVPWGQ-UHFFFAOYSA-N
XLogP3.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-7-propan-2-yl-2-azaspiro[4.5]decan-3-one?
The IUPAC name of 1,1-dimethyl-7-propan-2-yl-2-azaspiro[4.5]decan-3-one (CID 107450626) is 1,1-dimethyl-7-propan-2-yl-2-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 1,1-dimethyl-7-propan-2-yl-2-azaspiro[4.5]decan-3-one?
The canonical SMILES for 1,1-dimethyl-7-propan-2-yl-2-azaspiro[4.5]decan-3-one is CC(C)C1CCCC2(CC(=O)NC2(C)C)C1.
What is the InChIKey of 1,1-dimethyl-7-propan-2-yl-2-azaspiro[4.5]decan-3-one?
The InChIKey is NQPWYGAEPVPWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-10(2)11-6-5-7-14(8-11)9-12(16)15-13(14,3)4/h10-11H,5-9H2,1-4H3,(H,15,16).
What are the key properties of 1,1-dimethyl-7-propan-2-yl-2-azaspiro[4.5]decan-3-one?
1,1-dimethyl-7-propan-2-yl-2-azaspiro[4.5]decan-3-one has a molecular weight of 223.36 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-7-propan-2-yl-2-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 107450626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).