2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopent-2-en-1-one

C12H19NO2 — CID 10954795

IUPAC2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopent-2-en-1-one
SMILESCOC[C@@H]1CCCN1CC1=CCCC1=O
InChIInChI=1S/C12H19NO2/c1-15-9-11-5-3-7-13(11)8-10-4-2-6-12(10)14/h4,11H,2-3,5-9H2,1H3/t11-/m0/s1
InChIKeyWGQQENDWGSZXCD-NSHDSACASA-N
MW209.29 g/mol
LogP1.39
Rot. Bonds4

About 2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopent-2-en-1-one

2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopent-2-en-1-one (PubChem CID 10954795) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopent-2-en-1-one
PubChem CID10954795
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopent-2-en-1-one
SMILESCOC[C@@H]1CCCN1CC1=CCCC1=O
InChIInChI=1S/C12H19NO2/c1-15-9-11-5-3-7-13(11)8-10-4-2-6-12(10)14/h4,11H,2-3,5-9H2,1H3/t11-/m0/s1
InChIKeyWGQQENDWGSZXCD-NSHDSACASA-N
XLogP1.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopent-2-en-1-one?
The IUPAC name of 2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopent-2-en-1-one (CID 10954795) is 2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopent-2-en-1-one.
What is the SMILES notation for 2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopent-2-en-1-one?
The canonical SMILES for 2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopent-2-en-1-one is COC[C@@H]1CCCN1CC1=CCCC1=O.
What is the InChIKey of 2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopent-2-en-1-one?
The InChIKey is WGQQENDWGSZXCD-NSHDSACASA-N. The full InChI is InChI=1S/C12H19NO2/c1-15-9-11-5-3-7-13(11)8-10-4-2-6-12(10)14/h4,11H,2-3,5-9H2,1H3/t11-/m0/s1.
What are the key properties of 2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopent-2-en-1-one?
2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopent-2-en-1-one has a molecular weight of 209.29 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopent-2-en-1-one is sourced from PubChem (CID 10954795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).