1-[(4S)-4-prop-1-en-2-ylcyclopenten-1-yl]ethanone

C10H14O — CID 45085864

IUPAC1-[(4S)-4-prop-1-en-2-ylcyclopenten-1-yl]ethanone
SMILESC=C(C)[C@H]1CC=C(C(C)=O)C1
InChIInChI=1S/C10H14O/c1-7(2)9-4-5-10(6-9)8(3)11/h5,9H,1,4,6H2,2-3H3/t9-/m0/s1
InChIKeyBTXSVMBTNJSALB-VIFPVBQESA-N
MW150.22 g/mol
LogP2.49
Rot. Bonds2

About 1-[(4S)-4-prop-1-en-2-ylcyclopenten-1-yl]ethanone

1-[(4S)-4-prop-1-en-2-ylcyclopenten-1-yl]ethanone (PubChem CID 45085864) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-[(4S)-4-prop-1-en-2-ylcyclopenten-1-yl]ethanone.

Molecular Properties

Compound Name1-[(4S)-4-prop-1-en-2-ylcyclopenten-1-yl]ethanone
PubChem CID45085864
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name1-[(4S)-4-prop-1-en-2-ylcyclopenten-1-yl]ethanone
SMILESC=C(C)[C@H]1CC=C(C(C)=O)C1
InChIInChI=1S/C10H14O/c1-7(2)9-4-5-10(6-9)8(3)11/h5,9H,1,4,6H2,2-3H3/t9-/m0/s1
InChIKeyBTXSVMBTNJSALB-VIFPVBQESA-N
XLogP2.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-4-prop-1-en-2-ylcyclopenten-1-yl]ethanone?
The IUPAC name of 1-[(4S)-4-prop-1-en-2-ylcyclopenten-1-yl]ethanone (CID 45085864) is 1-[(4S)-4-prop-1-en-2-ylcyclopenten-1-yl]ethanone.
What is the SMILES notation for 1-[(4S)-4-prop-1-en-2-ylcyclopenten-1-yl]ethanone?
The canonical SMILES for 1-[(4S)-4-prop-1-en-2-ylcyclopenten-1-yl]ethanone is C=C(C)[C@H]1CC=C(C(C)=O)C1.
What is the InChIKey of 1-[(4S)-4-prop-1-en-2-ylcyclopenten-1-yl]ethanone?
The InChIKey is BTXSVMBTNJSALB-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14O/c1-7(2)9-4-5-10(6-9)8(3)11/h5,9H,1,4,6H2,2-3H3/t9-/m0/s1.
What are the key properties of 1-[(4S)-4-prop-1-en-2-ylcyclopenten-1-yl]ethanone?
1-[(4S)-4-prop-1-en-2-ylcyclopenten-1-yl]ethanone has a molecular weight of 150.22 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-4-prop-1-en-2-ylcyclopenten-1-yl]ethanone is sourced from PubChem (CID 45085864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).