(2R)-2-(methoxymethyl)-1-(4-methylcyclohexen-1-yl)pyrrolidine

C13H23NO — CID 11074638

IUPAC(2R)-2-(methoxymethyl)-1-(4-methylcyclohexen-1-yl)pyrrolidine
SMILESCOC[C@H]1CCCN1C1=CCC(C)CC1
InChIInChI=1S/C13H23NO/c1-11-5-7-12(8-6-11)14-9-3-4-13(14)10-15-2/h7,11,13H,3-6,8-10H2,1-2H3/t11?,13-/m1/s1
InChIKeyFBYZOQYQFMKNDK-GLGOKHISSA-N
MW209.33 g/mol
LogP2.80
Rot. Bonds3

About (2R)-2-(methoxymethyl)-1-(4-methylcyclohexen-1-yl)pyrrolidine

(2R)-2-(methoxymethyl)-1-(4-methylcyclohexen-1-yl)pyrrolidine (PubChem CID 11074638) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (2R)-2-(methoxymethyl)-1-(4-methylcyclohexen-1-yl)pyrrolidine.

Molecular Properties

Compound Name(2R)-2-(methoxymethyl)-1-(4-methylcyclohexen-1-yl)pyrrolidine
PubChem CID11074638
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(2R)-2-(methoxymethyl)-1-(4-methylcyclohexen-1-yl)pyrrolidine
SMILESCOC[C@H]1CCCN1C1=CCC(C)CC1
InChIInChI=1S/C13H23NO/c1-11-5-7-12(8-6-11)14-9-3-4-13(14)10-15-2/h7,11,13H,3-6,8-10H2,1-2H3/t11?,13-/m1/s1
InChIKeyFBYZOQYQFMKNDK-GLGOKHISSA-N
XLogP2.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(methoxymethyl)-1-(4-methylcyclohexen-1-yl)pyrrolidine?
The IUPAC name of (2R)-2-(methoxymethyl)-1-(4-methylcyclohexen-1-yl)pyrrolidine (CID 11074638) is (2R)-2-(methoxymethyl)-1-(4-methylcyclohexen-1-yl)pyrrolidine.
What is the SMILES notation for (2R)-2-(methoxymethyl)-1-(4-methylcyclohexen-1-yl)pyrrolidine?
The canonical SMILES for (2R)-2-(methoxymethyl)-1-(4-methylcyclohexen-1-yl)pyrrolidine is COC[C@H]1CCCN1C1=CCC(C)CC1.
What is the InChIKey of (2R)-2-(methoxymethyl)-1-(4-methylcyclohexen-1-yl)pyrrolidine?
The InChIKey is FBYZOQYQFMKNDK-GLGOKHISSA-N. The full InChI is InChI=1S/C13H23NO/c1-11-5-7-12(8-6-11)14-9-3-4-13(14)10-15-2/h7,11,13H,3-6,8-10H2,1-2H3/t11?,13-/m1/s1.
What are the key properties of (2R)-2-(methoxymethyl)-1-(4-methylcyclohexen-1-yl)pyrrolidine?
(2R)-2-(methoxymethyl)-1-(4-methylcyclohexen-1-yl)pyrrolidine has a molecular weight of 209.33 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(methoxymethyl)-1-(4-methylcyclohexen-1-yl)pyrrolidine is sourced from PubChem (CID 11074638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).