3-[(1S,2S)-2-ethenylcyclopropyl]-2-methylcyclopent-2-en-1-one

C11H14O — CID 130792829

IUPAC3-[(1S,2S)-2-ethenylcyclopropyl]-2-methylcyclopent-2-en-1-one
SMILESC=C[C@@H]1C[C@@H]1C1=C(C)C(=O)CC1
InChIInChI=1S/C11H14O/c1-3-8-6-10(8)9-4-5-11(12)7(9)2/h3,8,10H,1,4-6H2,2H3/t8-,10+/m1/s1
InChIKeyITFCMGFMRLGLSS-SCZZXKLOSA-N
MW162.23 g/mol
LogP2.49
Rot. Bonds2

About 3-[(1S,2S)-2-ethenylcyclopropyl]-2-methylcyclopent-2-en-1-one

3-[(1S,2S)-2-ethenylcyclopropyl]-2-methylcyclopent-2-en-1-one (PubChem CID 130792829) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 3-[(1S,2S)-2-ethenylcyclopropyl]-2-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[(1S,2S)-2-ethenylcyclopropyl]-2-methylcyclopent-2-en-1-one
PubChem CID130792829
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name3-[(1S,2S)-2-ethenylcyclopropyl]-2-methylcyclopent-2-en-1-one
SMILESC=C[C@@H]1C[C@@H]1C1=C(C)C(=O)CC1
InChIInChI=1S/C11H14O/c1-3-8-6-10(8)9-4-5-11(12)7(9)2/h3,8,10H,1,4-6H2,2H3/t8-,10+/m1/s1
InChIKeyITFCMGFMRLGLSS-SCZZXKLOSA-N
XLogP2.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
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 3-[(1S,2S)-2-ethenylcyclopropyl]-2-methylcyclopent-2-en-1-one?
The IUPAC name of 3-[(1S,2S)-2-ethenylcyclopropyl]-2-methylcyclopent-2-en-1-one (CID 130792829) is 3-[(1S,2S)-2-ethenylcyclopropyl]-2-methylcyclopent-2-en-1-one.
What is the SMILES notation for 3-[(1S,2S)-2-ethenylcyclopropyl]-2-methylcyclopent-2-en-1-one?
The canonical SMILES for 3-[(1S,2S)-2-ethenylcyclopropyl]-2-methylcyclopent-2-en-1-one is C=C[C@@H]1C[C@@H]1C1=C(C)C(=O)CC1.
What is the InChIKey of 3-[(1S,2S)-2-ethenylcyclopropyl]-2-methylcyclopent-2-en-1-one?
The InChIKey is ITFCMGFMRLGLSS-SCZZXKLOSA-N. The full InChI is InChI=1S/C11H14O/c1-3-8-6-10(8)9-4-5-11(12)7(9)2/h3,8,10H,1,4-6H2,2H3/t8-,10+/m1/s1.
What are the key properties of 3-[(1S,2S)-2-ethenylcyclopropyl]-2-methylcyclopent-2-en-1-one?
3-[(1S,2S)-2-ethenylcyclopropyl]-2-methylcyclopent-2-en-1-one has a molecular weight of 162.23 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 3-[(1S,2S)-2-ethenylcyclopropyl]-2-methylcyclopent-2-en-1-one is sourced from PubChem (CID 130792829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).