(2S)-1-methyl-2-[(5-methylcyclopenten-1-yl)oxymethyl]pyrrolidine

C12H21NO — CID 101237424

IUPAC(2S)-1-methyl-2-[(5-methylcyclopenten-1-yl)oxymethyl]pyrrolidine
SMILESCC1CCC=C1OC[C@@H]1CCCN1C
InChIInChI=1S/C12H21NO/c1-10-5-3-7-12(10)14-9-11-6-4-8-13(11)2/h7,10-11H,3-6,8-9H2,1-2H3/t10?,11-/m0/s1
InChIKeyQKCHPSVLDQWFCO-DTIOYNMSSA-N
MW195.31 g/mol
LogP2.41
Rot. Bonds3

About (2S)-1-methyl-2-[(5-methylcyclopenten-1-yl)oxymethyl]pyrrolidine

(2S)-1-methyl-2-[(5-methylcyclopenten-1-yl)oxymethyl]pyrrolidine (PubChem CID 101237424) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (2S)-1-methyl-2-[(5-methylcyclopenten-1-yl)oxymethyl]pyrrolidine.

Molecular Properties

Compound Name(2S)-1-methyl-2-[(5-methylcyclopenten-1-yl)oxymethyl]pyrrolidine
PubChem CID101237424
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(2S)-1-methyl-2-[(5-methylcyclopenten-1-yl)oxymethyl]pyrrolidine
SMILESCC1CCC=C1OC[C@@H]1CCCN1C
InChIInChI=1S/C12H21NO/c1-10-5-3-7-12(10)14-9-11-6-4-8-13(11)2/h7,10-11H,3-6,8-9H2,1-2H3/t10?,11-/m0/s1
InChIKeyQKCHPSVLDQWFCO-DTIOYNMSSA-N
XLogP2.41
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.41
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)-3-methoxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-propan-2-yl-2,5-dihydropyrrole
CID 102375985
4-Methyl-2-(6-methylhept-5-en-2-yl)-3-propan-2-yl-1,3-oxazolidine
CID 59085426
1,4-Dimethyl-2-(prop-1-en-2-yloxymethyl)pyrrolidine
CID 59438974
(2S)-2-[(E)-1-cyclopentyloxyprop-1-enyl]-1-ethylpyrrolidine
CID 143664316
(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
(2R,4R)-4-ethenyl-2-(methoxymethyl)-1-methylpyrrolidine
CID 156292606
8-(Propan-2-yloxymethyl)-1,2,3,5-tetrahydropyrrolizine
CID 162730788
8-(Ethoxymethyl)-1,2,3,5-tetrahydropyrrolizine
CID 166984316
(3S)-3-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,6-tetrahydro-1H-pyrrolizine
CID 176253030

Frequently Asked Questions

What is the IUPAC name of (2S)-1-methyl-2-[(5-methylcyclopenten-1-yl)oxymethyl]pyrrolidine?
The IUPAC name of (2S)-1-methyl-2-[(5-methylcyclopenten-1-yl)oxymethyl]pyrrolidine (CID 101237424) is (2S)-1-methyl-2-[(5-methylcyclopenten-1-yl)oxymethyl]pyrrolidine.
What is the SMILES notation for (2S)-1-methyl-2-[(5-methylcyclopenten-1-yl)oxymethyl]pyrrolidine?
The canonical SMILES for (2S)-1-methyl-2-[(5-methylcyclopenten-1-yl)oxymethyl]pyrrolidine is CC1CCC=C1OC[C@@H]1CCCN1C.
What is the InChIKey of (2S)-1-methyl-2-[(5-methylcyclopenten-1-yl)oxymethyl]pyrrolidine?
The InChIKey is QKCHPSVLDQWFCO-DTIOYNMSSA-N. The full InChI is InChI=1S/C12H21NO/c1-10-5-3-7-12(10)14-9-11-6-4-8-13(11)2/h7,10-11H,3-6,8-9H2,1-2H3/t10?,11-/m0/s1.
What are the key properties of (2S)-1-methyl-2-[(5-methylcyclopenten-1-yl)oxymethyl]pyrrolidine?
(2S)-1-methyl-2-[(5-methylcyclopenten-1-yl)oxymethyl]pyrrolidine has a molecular weight of 195.31 g/mol, XLogP of 2.41, 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-[(5-methylcyclopenten-1-yl)oxymethyl]pyrrolidine is sourced from PubChem (CID 101237424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).