1-[(1R,2S)-2-(aminomethyl)cyclopentyl]ethanone

C8H15NO — CID 131112690

IUPAC1-[(1R,2S)-2-(aminomethyl)cyclopentyl]ethanone
SMILESCC(=O)[C@@H]1CCC[C@@H]1CN
InChIInChI=1S/C8H15NO/c1-6(10)8-4-2-3-7(8)5-9/h7-8H,2-5,9H2,1H3/t7-,8+/m1/s1
InChIKeyRXHBJURXJIWYGA-SFYZADRCSA-N
MW141.21 g/mol
LogP0.95
Rot. Bonds2

About 1-[(1R,2S)-2-(aminomethyl)cyclopentyl]ethanone

1-[(1R,2S)-2-(aminomethyl)cyclopentyl]ethanone (PubChem CID 131112690) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-[(1R,2S)-2-(aminomethyl)cyclopentyl]ethanone.

Molecular Properties

Compound Name1-[(1R,2S)-2-(aminomethyl)cyclopentyl]ethanone
PubChem CID131112690
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-[(1R,2S)-2-(aminomethyl)cyclopentyl]ethanone
SMILESCC(=O)[C@@H]1CCC[C@@H]1CN
InChIInChI=1S/C8H15NO/c1-6(10)8-4-2-3-7(8)5-9/h7-8H,2-5,9H2,1H3/t7-,8+/m1/s1
InChIKeyRXHBJURXJIWYGA-SFYZADRCSA-N
XLogP0.95
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2-(aminomethyl)cyclopentyl]ethanone?
The IUPAC name of 1-[(1R,2S)-2-(aminomethyl)cyclopentyl]ethanone (CID 131112690) is 1-[(1R,2S)-2-(aminomethyl)cyclopentyl]ethanone.
What is the SMILES notation for 1-[(1R,2S)-2-(aminomethyl)cyclopentyl]ethanone?
The canonical SMILES for 1-[(1R,2S)-2-(aminomethyl)cyclopentyl]ethanone is CC(=O)[C@@H]1CCC[C@@H]1CN.
What is the InChIKey of 1-[(1R,2S)-2-(aminomethyl)cyclopentyl]ethanone?
The InChIKey is RXHBJURXJIWYGA-SFYZADRCSA-N. The full InChI is InChI=1S/C8H15NO/c1-6(10)8-4-2-3-7(8)5-9/h7-8H,2-5,9H2,1H3/t7-,8+/m1/s1.
What are the key properties of 1-[(1R,2S)-2-(aminomethyl)cyclopentyl]ethanone?
1-[(1R,2S)-2-(aminomethyl)cyclopentyl]ethanone has a molecular weight of 141.21 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-2-(aminomethyl)cyclopentyl]ethanone is sourced from PubChem (CID 131112690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).