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

C14H23NO2 — CID 10933526

IUPAC2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohept-2-en-1-one
SMILESCOC[C@@H]1CCCN1CC1=CCCCCC1=O
InChIInChI=1S/C14H23NO2/c1-17-11-13-7-5-9-15(13)10-12-6-3-2-4-8-14(12)16/h6,13H,2-5,7-11H2,1H3/t13-/m0/s1
InChIKeyXEUCRZABYXDOAG-ZDUSSCGKSA-N
MW237.34 g/mol
LogP2.17
Rot. Bonds4

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

2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohept-2-en-1-one (PubChem CID 10933526) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohept-2-en-1-one.

Molecular Properties

Compound Name2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohept-2-en-1-one
PubChem CID10933526
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohept-2-en-1-one
SMILESCOC[C@@H]1CCCN1CC1=CCCCCC1=O
InChIInChI=1S/C14H23NO2/c1-17-11-13-7-5-9-15(13)10-12-6-3-2-4-8-14(12)16/h6,13H,2-5,7-11H2,1H3/t13-/m0/s1
InChIKeyXEUCRZABYXDOAG-ZDUSSCGKSA-N
XLogP2.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.17
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]cyclohept-2-en-1-one?
The IUPAC name of 2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohept-2-en-1-one (CID 10933526) is 2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohept-2-en-1-one.
What is the SMILES notation for 2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohept-2-en-1-one?
The canonical SMILES for 2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohept-2-en-1-one is COC[C@@H]1CCCN1CC1=CCCCCC1=O.
What is the InChIKey of 2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohept-2-en-1-one?
The InChIKey is XEUCRZABYXDOAG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H23NO2/c1-17-11-13-7-5-9-15(13)10-12-6-3-2-4-8-14(12)16/h6,13H,2-5,7-11H2,1H3/t13-/m0/s1.
What are the key properties of 2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohept-2-en-1-one?
2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohept-2-en-1-one has a molecular weight of 237.34 g/mol, XLogP of 2.17, 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]cyclohept-2-en-1-one is sourced from PubChem (CID 10933526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).