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

C9H16O — CID 134888896

IUPAC1-[(1R,2S)-2-methylcyclopropyl]pentan-1-one
SMILESCCCCC(=O)[C@@H]1C[C@@H]1C
InChIInChI=1S/C9H16O/c1-3-4-5-9(10)8-6-7(8)2/h7-8H,3-6H2,1-2H3/t7-,8+/m0/s1
InChIKeyGNILARXXTNQZDS-JGVFFNPUSA-N
MW140.23 g/mol
LogP2.40
Rot. Bonds4

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

1-[(1R,2S)-2-methylcyclopropyl]pentan-1-one (PubChem CID 134888896) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-[(1R,2S)-2-methylcyclopropyl]pentan-1-one.

Molecular Properties

Compound Name1-[(1R,2S)-2-methylcyclopropyl]pentan-1-one
PubChem CID134888896
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name1-[(1R,2S)-2-methylcyclopropyl]pentan-1-one
SMILESCCCCC(=O)[C@@H]1C[C@@H]1C
InChIInChI=1S/C9H16O/c1-3-4-5-9(10)8-6-7(8)2/h7-8H,3-6H2,1-2H3/t7-,8+/m0/s1
InChIKeyGNILARXXTNQZDS-JGVFFNPUSA-N
XLogP2.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2-methylcyclopropyl]pentan-1-one?
The IUPAC name of 1-[(1R,2S)-2-methylcyclopropyl]pentan-1-one (CID 134888896) is 1-[(1R,2S)-2-methylcyclopropyl]pentan-1-one.
What is the SMILES notation for 1-[(1R,2S)-2-methylcyclopropyl]pentan-1-one?
The canonical SMILES for 1-[(1R,2S)-2-methylcyclopropyl]pentan-1-one is CCCCC(=O)[C@@H]1C[C@@H]1C.
What is the InChIKey of 1-[(1R,2S)-2-methylcyclopropyl]pentan-1-one?
The InChIKey is GNILARXXTNQZDS-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H16O/c1-3-4-5-9(10)8-6-7(8)2/h7-8H,3-6H2,1-2H3/t7-,8+/m0/s1.
What are the key properties of 1-[(1R,2S)-2-methylcyclopropyl]pentan-1-one?
1-[(1R,2S)-2-methylcyclopropyl]pentan-1-one has a molecular weight of 140.23 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-2-methylcyclopropyl]pentan-1-one is sourced from PubChem (CID 134888896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).