2-methyl-1-[(2R)-2-methyl-5-azaspiro[2.4]heptan-4-yl]butan-1-one

C12H21NO — CID 163647898

IUPAC2-methyl-1-[(2R)-2-methyl-5-azaspiro[2.4]heptan-4-yl]butan-1-one
SMILESCCC(C)C(=O)C1NCCC12C[C@H]2C
InChIInChI=1S/C12H21NO/c1-4-8(2)10(14)11-12(5-6-13-11)7-9(12)3/h8-9,11,13H,4-7H2,1-3H3/t8?,9-,11?,12?/m1/s1
InChIKeyIJUQRBUKHWAAJY-QGHFROFYSA-N
MW195.31 g/mol
LogP1.99
Rot. Bonds3

About 2-methyl-1-[(2R)-2-methyl-5-azaspiro[2.4]heptan-4-yl]butan-1-one

2-methyl-1-[(2R)-2-methyl-5-azaspiro[2.4]heptan-4-yl]butan-1-one (PubChem CID 163647898) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-methyl-1-[(2R)-2-methyl-5-azaspiro[2.4]heptan-4-yl]butan-1-one.

Molecular Properties

Compound Name2-methyl-1-[(2R)-2-methyl-5-azaspiro[2.4]heptan-4-yl]butan-1-one
PubChem CID163647898
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-methyl-1-[(2R)-2-methyl-5-azaspiro[2.4]heptan-4-yl]butan-1-one
SMILESCCC(C)C(=O)C1NCCC12C[C@H]2C
InChIInChI=1S/C12H21NO/c1-4-8(2)10(14)11-12(5-6-13-11)7-9(12)3/h8-9,11,13H,4-7H2,1-3H3/t8?,9-,11?,12?/m1/s1
InChIKeyIJUQRBUKHWAAJY-QGHFROFYSA-N
XLogP1.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2R)-2-methyl-5-azaspiro[2.4]heptan-4-yl]butan-1-one?
The IUPAC name of 2-methyl-1-[(2R)-2-methyl-5-azaspiro[2.4]heptan-4-yl]butan-1-one (CID 163647898) is 2-methyl-1-[(2R)-2-methyl-5-azaspiro[2.4]heptan-4-yl]butan-1-one.
What is the SMILES notation for 2-methyl-1-[(2R)-2-methyl-5-azaspiro[2.4]heptan-4-yl]butan-1-one?
The canonical SMILES for 2-methyl-1-[(2R)-2-methyl-5-azaspiro[2.4]heptan-4-yl]butan-1-one is CCC(C)C(=O)C1NCCC12C[C@H]2C.
What is the InChIKey of 2-methyl-1-[(2R)-2-methyl-5-azaspiro[2.4]heptan-4-yl]butan-1-one?
The InChIKey is IJUQRBUKHWAAJY-QGHFROFYSA-N. The full InChI is InChI=1S/C12H21NO/c1-4-8(2)10(14)11-12(5-6-13-11)7-9(12)3/h8-9,11,13H,4-7H2,1-3H3/t8?,9-,11?,12?/m1/s1.
What are the key properties of 2-methyl-1-[(2R)-2-methyl-5-azaspiro[2.4]heptan-4-yl]butan-1-one?
2-methyl-1-[(2R)-2-methyl-5-azaspiro[2.4]heptan-4-yl]butan-1-one has a molecular weight of 195.31 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2R)-2-methyl-5-azaspiro[2.4]heptan-4-yl]butan-1-one is sourced from PubChem (CID 163647898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).