2-methyl-1-[(2S)-2-methylcyclopropyl]propan-1-one

C8H14O — CID 166581252

IUPAC2-methyl-1-[(2S)-2-methylcyclopropyl]propan-1-one
SMILESCC(C)C(=O)C1C[C@@H]1C
InChIInChI=1S/C8H14O/c1-5(2)8(9)7-4-6(7)3/h5-7H,4H2,1-3H3/t6-,7?/m0/s1
InChIKeyDJFUGDZKFZUZES-PKPIPKONSA-N
MW126.20 g/mol
LogP1.87
Rot. Bonds2

About 2-methyl-1-[(2S)-2-methylcyclopropyl]propan-1-one

2-methyl-1-[(2S)-2-methylcyclopropyl]propan-1-one (PubChem CID 166581252) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-methyl-1-[(2S)-2-methylcyclopropyl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[(2S)-2-methylcyclopropyl]propan-1-one
PubChem CID166581252
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name2-methyl-1-[(2S)-2-methylcyclopropyl]propan-1-one
SMILESCC(C)C(=O)C1C[C@@H]1C
InChIInChI=1S/C8H14O/c1-5(2)8(9)7-4-6(7)3/h5-7H,4H2,1-3H3/t6-,7?/m0/s1
InChIKeyDJFUGDZKFZUZES-PKPIPKONSA-N
XLogP1.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2S)-2-methylcyclopropyl]propan-1-one?
The IUPAC name of 2-methyl-1-[(2S)-2-methylcyclopropyl]propan-1-one (CID 166581252) is 2-methyl-1-[(2S)-2-methylcyclopropyl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[(2S)-2-methylcyclopropyl]propan-1-one?
The canonical SMILES for 2-methyl-1-[(2S)-2-methylcyclopropyl]propan-1-one is CC(C)C(=O)C1C[C@@H]1C.
What is the InChIKey of 2-methyl-1-[(2S)-2-methylcyclopropyl]propan-1-one?
The InChIKey is DJFUGDZKFZUZES-PKPIPKONSA-N. The full InChI is InChI=1S/C8H14O/c1-5(2)8(9)7-4-6(7)3/h5-7H,4H2,1-3H3/t6-,7?/m0/s1.
What are the key properties of 2-methyl-1-[(2S)-2-methylcyclopropyl]propan-1-one?
2-methyl-1-[(2S)-2-methylcyclopropyl]propan-1-one has a molecular weight of 126.20 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2S)-2-methylcyclopropyl]propan-1-one is sourced from PubChem (CID 166581252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).