1-[(1S,2R)-2-methylcyclopropyl]propan-1-one

C7H12O — CID 124509499

IUPAC1-[(1S,2R)-2-methylcyclopropyl]propan-1-one
SMILESCCC(=O)[C@H]1C[C@H]1C
InChIInChI=1S/C7H12O/c1-3-7(8)6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1
InChIKeyPXVFECJNBXXKBM-RITPCOANSA-N
MW112.17 g/mol
LogP1.62
Rot. Bonds2

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

1-[(1S,2R)-2-methylcyclopropyl]propan-1-one (PubChem CID 124509499) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 1-[(1S,2R)-2-methylcyclopropyl]propan-1-one.

Molecular Properties

Compound Name1-[(1S,2R)-2-methylcyclopropyl]propan-1-one
PubChem CID124509499
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name1-[(1S,2R)-2-methylcyclopropyl]propan-1-one
SMILESCCC(=O)[C@H]1C[C@H]1C
InChIInChI=1S/C7H12O/c1-3-7(8)6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1
InChIKeyPXVFECJNBXXKBM-RITPCOANSA-N
XLogP1.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-methylcyclopropyl]propan-1-one?
The IUPAC name of 1-[(1S,2R)-2-methylcyclopropyl]propan-1-one (CID 124509499) is 1-[(1S,2R)-2-methylcyclopropyl]propan-1-one.
What is the SMILES notation for 1-[(1S,2R)-2-methylcyclopropyl]propan-1-one?
The canonical SMILES for 1-[(1S,2R)-2-methylcyclopropyl]propan-1-one is CCC(=O)[C@H]1C[C@H]1C.
What is the InChIKey of 1-[(1S,2R)-2-methylcyclopropyl]propan-1-one?
The InChIKey is PXVFECJNBXXKBM-RITPCOANSA-N. The full InChI is InChI=1S/C7H12O/c1-3-7(8)6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1.
What are the key properties of 1-[(1S,2R)-2-methylcyclopropyl]propan-1-one?
1-[(1S,2R)-2-methylcyclopropyl]propan-1-one has a molecular weight of 112.17 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-2-methylcyclopropyl]propan-1-one is sourced from PubChem (CID 124509499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).