(2S)-1-methyl-2-[(6-methylcyclohexen-1-yl)oxymethyl]pyrrolidine

C13H23NO — CID 24796033

IUPAC(2S)-1-methyl-2-[(6-methylcyclohexen-1-yl)oxymethyl]pyrrolidine
SMILESCC1CCCC=C1OC[C@@H]1CCCN1C
InChIInChI=1S/C13H23NO/c1-11-6-3-4-8-13(11)15-10-12-7-5-9-14(12)2/h8,11-12H,3-7,9-10H2,1-2H3/t11?,12-/m0/s1
InChIKeyCUCHBRYAJZXRMJ-KIYNQFGBSA-N
MW209.33 g/mol
LogP2.80
Rot. Bonds3

About (2S)-1-methyl-2-[(6-methylcyclohexen-1-yl)oxymethyl]pyrrolidine

(2S)-1-methyl-2-[(6-methylcyclohexen-1-yl)oxymethyl]pyrrolidine (PubChem CID 24796033) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (2S)-1-methyl-2-[(6-methylcyclohexen-1-yl)oxymethyl]pyrrolidine.

Molecular Properties

Compound Name(2S)-1-methyl-2-[(6-methylcyclohexen-1-yl)oxymethyl]pyrrolidine
PubChem CID24796033
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(2S)-1-methyl-2-[(6-methylcyclohexen-1-yl)oxymethyl]pyrrolidine
SMILESCC1CCCC=C1OC[C@@H]1CCCN1C
InChIInChI=1S/C13H23NO/c1-11-6-3-4-8-13(11)15-10-12-7-5-9-14(12)2/h8,11-12H,3-7,9-10H2,1-2H3/t11?,12-/m0/s1
InChIKeyCUCHBRYAJZXRMJ-KIYNQFGBSA-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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Related Compounds

(2S)-1-methyl-2-[(2-methylcyclopenten-1-yl)oxymethyl]pyrrolidine
CID 11788815
(2S)-2-[[(5R)-5-[(E)-but-1-enyl]-5-methylcyclopenten-1-yl]oxymethyl]-1-methylpyrrolidine
CID 135001583
(2S)-1-(cyclohexa-2,4-dien-1-ylmethyl)-2-(methoxymethyl)pyrrolidine
CID 143093350
(4E,6Z,8E)-1,4,9-trimethyl-3,3a,11,11a-tetrahydro-2H-oxecino[3,4-b]pyrrole
CID 144396247
(2S)-2-(methoxymethyl)-1-[(4-methylcyclohex-3-en-1-yl)methyl]pyrrolidine
CID 145523024
2-Ethoxy-8-methyl-8-azabicyclo[3.2.1]oct-2-ene
CID 162987511
(1S,2S,5R)-3-methyl-2-[(1S)-1-propan-2-yloxyethyl]-3-azabicyclo[3.2.0]hept-6-ene
CID 177010233
(2S)-2-(methoxymethyl)-1-[(Z,5R)-5-methyloct-3-en-3-yl]pyrrolidine
CID 10823922
(2S)-2-(methoxymethyl)-1-[(Z,5R)-5-methylnon-3-en-3-yl]pyrrolidine
CID 10824780
(2R)-2-(methoxymethyl)-1-(4-methylcyclohexen-1-yl)pyrrolidine
CID 11074638
(2S)-1-[(1S,4R,5R)-2-methoxy-4,5-di(propan-2-yl)cyclopent-2-en-1-yl]-2-(methoxymethyl)pyrrolidine
CID 15372872
(2S)-1-(cyclohexen-1-yl)-2-(2-methoxypropan-2-yl)pyrrolidine
CID 15514342

Frequently Asked Questions

What is the IUPAC name of (2S)-1-methyl-2-[(6-methylcyclohexen-1-yl)oxymethyl]pyrrolidine?
The IUPAC name of (2S)-1-methyl-2-[(6-methylcyclohexen-1-yl)oxymethyl]pyrrolidine (CID 24796033) is (2S)-1-methyl-2-[(6-methylcyclohexen-1-yl)oxymethyl]pyrrolidine.
What is the SMILES notation for (2S)-1-methyl-2-[(6-methylcyclohexen-1-yl)oxymethyl]pyrrolidine?
The canonical SMILES for (2S)-1-methyl-2-[(6-methylcyclohexen-1-yl)oxymethyl]pyrrolidine is CC1CCCC=C1OC[C@@H]1CCCN1C.
What is the InChIKey of (2S)-1-methyl-2-[(6-methylcyclohexen-1-yl)oxymethyl]pyrrolidine?
The InChIKey is CUCHBRYAJZXRMJ-KIYNQFGBSA-N. The full InChI is InChI=1S/C13H23NO/c1-11-6-3-4-8-13(11)15-10-12-7-5-9-14(12)2/h8,11-12H,3-7,9-10H2,1-2H3/t11?,12-/m0/s1.
What are the key properties of (2S)-1-methyl-2-[(6-methylcyclohexen-1-yl)oxymethyl]pyrrolidine?
(2S)-1-methyl-2-[(6-methylcyclohexen-1-yl)oxymethyl]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 (2S)-1-methyl-2-[(6-methylcyclohexen-1-yl)oxymethyl]pyrrolidine is sourced from PubChem (CID 24796033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).