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

C13H21NO2 — CID 11447416

IUPAC2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohex-2-en-1-one
SMILESCOC[C@@H]1CCCN1CC1=CCCCC1=O
InChIInChI=1S/C13H21NO2/c1-16-10-12-6-4-8-14(12)9-11-5-2-3-7-13(11)15/h5,12H,2-4,6-10H2,1H3/t12-/m0/s1
InChIKeyOMZIVAQVFVINMV-LBPRGKRZSA-N
MW223.32 g/mol
LogP1.78
Rot. Bonds4

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

2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohex-2-en-1-one (PubChem CID 11447416) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohex-2-en-1-one
PubChem CID11447416
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohex-2-en-1-one
SMILESCOC[C@@H]1CCCN1CC1=CCCCC1=O
InChIInChI=1S/C13H21NO2/c1-16-10-12-6-4-8-14(12)9-11-5-2-3-7-13(11)15/h5,12H,2-4,6-10H2,1H3/t12-/m0/s1
InChIKeyOMZIVAQVFVINMV-LBPRGKRZSA-N
XLogP1.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.78
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]cyclohex-2-en-1-one?
The IUPAC name of 2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohex-2-en-1-one (CID 11447416) is 2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohex-2-en-1-one.
What is the SMILES notation for 2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohex-2-en-1-one?
The canonical SMILES for 2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohex-2-en-1-one is COC[C@@H]1CCCN1CC1=CCCCC1=O.
What is the InChIKey of 2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohex-2-en-1-one?
The InChIKey is OMZIVAQVFVINMV-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H21NO2/c1-16-10-12-6-4-8-14(12)9-11-5-2-3-7-13(11)15/h5,12H,2-4,6-10H2,1H3/t12-/m0/s1.
What are the key properties of 2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohex-2-en-1-one?
2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohex-2-en-1-one has a molecular weight of 223.32 g/mol, XLogP of 1.78, 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]cyclohex-2-en-1-one is sourced from PubChem (CID 11447416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).