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

C13H23NO — CID 24796172

IUPAC(2S)-1-methyl-2-[(2-methylcyclohexen-1-yl)oxymethyl]pyrrolidine
SMILESCC1=C(OC[C@@H]2CCCN2C)CCCC1
InChIInChI=1S/C13H23NO/c1-11-6-3-4-8-13(11)15-10-12-7-5-9-14(12)2/h12H,3-10H2,1-2H3/t12-/m0/s1
InChIKeyHVCONCVRYANXTJ-LBPRGKRZSA-N
MW209.33 g/mol
LogP2.95
Rot. Bonds3

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

(2S)-1-methyl-2-[(2-methylcyclohexen-1-yl)oxymethyl]pyrrolidine (PubChem CID 24796172) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (2S)-1-methyl-2-[(2-methylcyclohexen-1-yl)oxymethyl]pyrrolidine.

Molecular Properties

Compound Name(2S)-1-methyl-2-[(2-methylcyclohexen-1-yl)oxymethyl]pyrrolidine
PubChem CID24796172
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(2S)-1-methyl-2-[(2-methylcyclohexen-1-yl)oxymethyl]pyrrolidine
SMILESCC1=C(OC[C@@H]2CCCN2C)CCCC1
InChIInChI=1S/C13H23NO/c1-11-6-3-4-8-13(11)15-10-12-7-5-9-14(12)2/h12H,3-10H2,1-2H3/t12-/m0/s1
InChIKeyHVCONCVRYANXTJ-LBPRGKRZSA-N
XLogP2.95
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 ≤ 52.95
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-methylcyclohexen-1-yl)oxymethyl]pyrrolidine?
The IUPAC name of (2S)-1-methyl-2-[(2-methylcyclohexen-1-yl)oxymethyl]pyrrolidine (CID 24796172) is (2S)-1-methyl-2-[(2-methylcyclohexen-1-yl)oxymethyl]pyrrolidine.
What is the SMILES notation for (2S)-1-methyl-2-[(2-methylcyclohexen-1-yl)oxymethyl]pyrrolidine?
The canonical SMILES for (2S)-1-methyl-2-[(2-methylcyclohexen-1-yl)oxymethyl]pyrrolidine is CC1=C(OC[C@@H]2CCCN2C)CCCC1.
What is the InChIKey of (2S)-1-methyl-2-[(2-methylcyclohexen-1-yl)oxymethyl]pyrrolidine?
The InChIKey is HVCONCVRYANXTJ-LBPRGKRZSA-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/h12H,3-10H2,1-2H3/t12-/m0/s1.
What are the key properties of (2S)-1-methyl-2-[(2-methylcyclohexen-1-yl)oxymethyl]pyrrolidine?
(2S)-1-methyl-2-[(2-methylcyclohexen-1-yl)oxymethyl]pyrrolidine has a molecular weight of 209.33 g/mol, XLogP of 2.95, 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-methylcyclohexen-1-yl)oxymethyl]pyrrolidine is sourced from PubChem (CID 24796172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).