(3S)-3-(3,4-dimethylcyclohexyl)oxypyrrolidine

C12H23NO — CID 115460446

IUPAC(3S)-3-(3,4-dimethylcyclohexyl)oxypyrrolidine
SMILESCC1CCC(O[C@H]2CCNC2)CC1C
InChIInChI=1S/C12H23NO/c1-9-3-4-11(7-10(9)2)14-12-5-6-13-8-12/h9-13H,3-8H2,1-2H3/t9?,10?,11?,12-/m0/s1
InChIKeyMNENGHSYBFSJOM-ROAFRPBMSA-N
MW197.32 g/mol
LogP2.19
Rot. Bonds2

About (3S)-3-(3,4-dimethylcyclohexyl)oxypyrrolidine

(3S)-3-(3,4-dimethylcyclohexyl)oxypyrrolidine (PubChem CID 115460446) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (3S)-3-(3,4-dimethylcyclohexyl)oxypyrrolidine.

Molecular Properties

Compound Name(3S)-3-(3,4-dimethylcyclohexyl)oxypyrrolidine
PubChem CID115460446
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(3S)-3-(3,4-dimethylcyclohexyl)oxypyrrolidine
SMILESCC1CCC(O[C@H]2CCNC2)CC1C
InChIInChI=1S/C12H23NO/c1-9-3-4-11(7-10(9)2)14-12-5-6-13-8-12/h9-13H,3-8H2,1-2H3/t9?,10?,11?,12-/m0/s1
InChIKeyMNENGHSYBFSJOM-ROAFRPBMSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3,4-dimethylcyclohexyl)oxypyrrolidine?
The IUPAC name of (3S)-3-(3,4-dimethylcyclohexyl)oxypyrrolidine (CID 115460446) is (3S)-3-(3,4-dimethylcyclohexyl)oxypyrrolidine.
What is the SMILES notation for (3S)-3-(3,4-dimethylcyclohexyl)oxypyrrolidine?
The canonical SMILES for (3S)-3-(3,4-dimethylcyclohexyl)oxypyrrolidine is CC1CCC(O[C@H]2CCNC2)CC1C.
What is the InChIKey of (3S)-3-(3,4-dimethylcyclohexyl)oxypyrrolidine?
The InChIKey is MNENGHSYBFSJOM-ROAFRPBMSA-N. The full InChI is InChI=1S/C12H23NO/c1-9-3-4-11(7-10(9)2)14-12-5-6-13-8-12/h9-13H,3-8H2,1-2H3/t9?,10?,11?,12-/m0/s1.
What are the key properties of (3S)-3-(3,4-dimethylcyclohexyl)oxypyrrolidine?
(3S)-3-(3,4-dimethylcyclohexyl)oxypyrrolidine has a molecular weight of 197.32 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3,4-dimethylcyclohexyl)oxypyrrolidine is sourced from PubChem (CID 115460446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).