1-[(1S,2S)-2-methoxy-4-methylidenecyclopentyl]ethanone

C9H14O2 — CID 134980986

IUPAC1-[(1S,2S)-2-methoxy-4-methylidenecyclopentyl]ethanone
SMILESC=C1C[C@H](OC)[C@@H](C(C)=O)C1
InChIInChI=1S/C9H14O2/c1-6-4-8(7(2)10)9(5-6)11-3/h8-9H,1,4-5H2,2-3H3/t8-,9+/m1/s1
InChIKeyJLQFTIJDAQWANK-BDAKNGLRSA-N
MW154.21 g/mol
LogP1.56
Rot. Bonds2

About 1-[(1S,2S)-2-methoxy-4-methylidenecyclopentyl]ethanone

1-[(1S,2S)-2-methoxy-4-methylidenecyclopentyl]ethanone (PubChem CID 134980986) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-[(1S,2S)-2-methoxy-4-methylidenecyclopentyl]ethanone.

Molecular Properties

Compound Name1-[(1S,2S)-2-methoxy-4-methylidenecyclopentyl]ethanone
PubChem CID134980986
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name1-[(1S,2S)-2-methoxy-4-methylidenecyclopentyl]ethanone
SMILESC=C1C[C@H](OC)[C@@H](C(C)=O)C1
InChIInChI=1S/C9H14O2/c1-6-4-8(7(2)10)9(5-6)11-3/h8-9H,1,4-5H2,2-3H3/t8-,9+/m1/s1
InChIKeyJLQFTIJDAQWANK-BDAKNGLRSA-N
XLogP1.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-Oxo-2-pent-1-en-2-ylcyclopentyl) propanoate
CID 70601951
[(1S,2R,5R)-2-methyl-3-oxo-5-prop-1-en-2-ylcyclopentyl] formate
CID 88372705
4-Methoxy-3,6-dimethylhept-6-en-2-one
CID 90823803
2-(1-Methoxypropyl)-3-methyl-4-methylidenecyclopentan-1-one
CID 148961764

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-2-methoxy-4-methylidenecyclopentyl]ethanone?
The IUPAC name of 1-[(1S,2S)-2-methoxy-4-methylidenecyclopentyl]ethanone (CID 134980986) is 1-[(1S,2S)-2-methoxy-4-methylidenecyclopentyl]ethanone.
What is the SMILES notation for 1-[(1S,2S)-2-methoxy-4-methylidenecyclopentyl]ethanone?
The canonical SMILES for 1-[(1S,2S)-2-methoxy-4-methylidenecyclopentyl]ethanone is C=C1C[C@H](OC)[C@@H](C(C)=O)C1.
What is the InChIKey of 1-[(1S,2S)-2-methoxy-4-methylidenecyclopentyl]ethanone?
The InChIKey is JLQFTIJDAQWANK-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H14O2/c1-6-4-8(7(2)10)9(5-6)11-3/h8-9H,1,4-5H2,2-3H3/t8-,9+/m1/s1.
What are the key properties of 1-[(1S,2S)-2-methoxy-4-methylidenecyclopentyl]ethanone?
1-[(1S,2S)-2-methoxy-4-methylidenecyclopentyl]ethanone has a molecular weight of 154.21 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S)-2-methoxy-4-methylidenecyclopentyl]ethanone is sourced from PubChem (CID 134980986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).