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

C12H21NO — CID 11788815

IUPAC(2S)-1-methyl-2-[(2-methylcyclopenten-1-yl)oxymethyl]pyrrolidine
SMILESCC1=C(OC[C@@H]2CCCN2C)CCC1
InChIInChI=1S/C12H21NO/c1-10-5-3-7-12(10)14-9-11-6-4-8-13(11)2/h11H,3-9H2,1-2H3/t11-/m0/s1
InChIKeyNODMPHXOWPJSGD-NSHDSACASA-N
MW195.31 g/mol
LogP2.56
Rot. Bonds3

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

(2S)-1-methyl-2-[(2-methylcyclopenten-1-yl)oxymethyl]pyrrolidine (PubChem CID 11788815) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (2S)-1-methyl-2-[(2-methylcyclopenten-1-yl)oxymethyl]pyrrolidine.

Molecular Properties

Compound Name(2S)-1-methyl-2-[(2-methylcyclopenten-1-yl)oxymethyl]pyrrolidine
PubChem CID11788815
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(2S)-1-methyl-2-[(2-methylcyclopenten-1-yl)oxymethyl]pyrrolidine
SMILESCC1=C(OC[C@@H]2CCCN2C)CCC1
InChIInChI=1S/C12H21NO/c1-10-5-3-7-12(10)14-9-11-6-4-8-13(11)2/h11H,3-9H2,1-2H3/t11-/m0/s1
InChIKeyNODMPHXOWPJSGD-NSHDSACASA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-methyl-2-[(2-methylcyclopenten-1-yl)oxymethyl]pyrrolidine?
The IUPAC name of (2S)-1-methyl-2-[(2-methylcyclopenten-1-yl)oxymethyl]pyrrolidine (CID 11788815) is (2S)-1-methyl-2-[(2-methylcyclopenten-1-yl)oxymethyl]pyrrolidine.
What is the SMILES notation for (2S)-1-methyl-2-[(2-methylcyclopenten-1-yl)oxymethyl]pyrrolidine?
The canonical SMILES for (2S)-1-methyl-2-[(2-methylcyclopenten-1-yl)oxymethyl]pyrrolidine is CC1=C(OC[C@@H]2CCCN2C)CCC1.
What is the InChIKey of (2S)-1-methyl-2-[(2-methylcyclopenten-1-yl)oxymethyl]pyrrolidine?
The InChIKey is NODMPHXOWPJSGD-NSHDSACASA-N. The full InChI is InChI=1S/C12H21NO/c1-10-5-3-7-12(10)14-9-11-6-4-8-13(11)2/h11H,3-9H2,1-2H3/t11-/m0/s1.
What are the key properties of (2S)-1-methyl-2-[(2-methylcyclopenten-1-yl)oxymethyl]pyrrolidine?
(2S)-1-methyl-2-[(2-methylcyclopenten-1-yl)oxymethyl]pyrrolidine has a molecular weight of 195.31 g/mol, XLogP of 2.56, 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-[(2-methylcyclopenten-1-yl)oxymethyl]pyrrolidine is sourced from PubChem (CID 11788815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).