(2S)-1-methyl-2-[1-[(2-methylpropan-2-yl)oxy]cyclopropyl]pyrrolidine

C12H23NO — CID 171415775

IUPAC(2S)-1-methyl-2-[1-[(2-methylpropan-2-yl)oxy]cyclopropyl]pyrrolidine
SMILESCN1CCC[C@H]1C1(OC(C)(C)C)CC1
InChIInChI=1S/C12H23NO/c1-11(2,3)14-12(7-8-12)10-6-5-9-13(10)4/h10H,5-9H2,1-4H3/t10-/m0/s1
InChIKeyKQBPXOTVNDZZMI-JTQLQIEISA-N
MW197.32 g/mol
LogP2.43
Rot. Bonds2

About (2S)-1-methyl-2-[1-[(2-methylpropan-2-yl)oxy]cyclopropyl]pyrrolidine

(2S)-1-methyl-2-[1-[(2-methylpropan-2-yl)oxy]cyclopropyl]pyrrolidine (PubChem CID 171415775) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (2S)-1-methyl-2-[1-[(2-methylpropan-2-yl)oxy]cyclopropyl]pyrrolidine.

Molecular Properties

Compound Name(2S)-1-methyl-2-[1-[(2-methylpropan-2-yl)oxy]cyclopropyl]pyrrolidine
PubChem CID171415775
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(2S)-1-methyl-2-[1-[(2-methylpropan-2-yl)oxy]cyclopropyl]pyrrolidine
SMILESCN1CCC[C@H]1C1(OC(C)(C)C)CC1
InChIInChI=1S/C12H23NO/c1-11(2,3)14-12(7-8-12)10-6-5-9-13(10)4/h10H,5-9H2,1-4H3/t10-/m0/s1
InChIKeyKQBPXOTVNDZZMI-JTQLQIEISA-N
XLogP2.43
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.43
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-[1-[(2-methylpropan-2-yl)oxy]cyclopropyl]pyrrolidine?
The IUPAC name of (2S)-1-methyl-2-[1-[(2-methylpropan-2-yl)oxy]cyclopropyl]pyrrolidine (CID 171415775) is (2S)-1-methyl-2-[1-[(2-methylpropan-2-yl)oxy]cyclopropyl]pyrrolidine.
What is the SMILES notation for (2S)-1-methyl-2-[1-[(2-methylpropan-2-yl)oxy]cyclopropyl]pyrrolidine?
The canonical SMILES for (2S)-1-methyl-2-[1-[(2-methylpropan-2-yl)oxy]cyclopropyl]pyrrolidine is CN1CCC[C@H]1C1(OC(C)(C)C)CC1.
What is the InChIKey of (2S)-1-methyl-2-[1-[(2-methylpropan-2-yl)oxy]cyclopropyl]pyrrolidine?
The InChIKey is KQBPXOTVNDZZMI-JTQLQIEISA-N. The full InChI is InChI=1S/C12H23NO/c1-11(2,3)14-12(7-8-12)10-6-5-9-13(10)4/h10H,5-9H2,1-4H3/t10-/m0/s1.
What are the key properties of (2S)-1-methyl-2-[1-[(2-methylpropan-2-yl)oxy]cyclopropyl]pyrrolidine?
(2S)-1-methyl-2-[1-[(2-methylpropan-2-yl)oxy]cyclopropyl]pyrrolidine has a molecular weight of 197.32 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methyl-2-[1-[(2-methylpropan-2-yl)oxy]cyclopropyl]pyrrolidine is sourced from PubChem (CID 171415775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).