(3S)-3-methyl-3-(oxan-4-yl)pyrrolidine

C10H19NO — CID 166800108

IUPAC(3S)-3-methyl-3-(oxan-4-yl)pyrrolidine
SMILESC[C@@]1(C2CCOCC2)CCNC1
InChIInChI=1S/C10H19NO/c1-10(4-5-11-8-10)9-2-6-12-7-3-9/h9,11H,2-8H2,1H3/t10-/m1/s1
InChIKeyVDYBUBBKVIHNRG-SNVBAGLBSA-N
MW169.27 g/mol
LogP1.41
Rot. Bonds1

About (3S)-3-methyl-3-(oxan-4-yl)pyrrolidine

(3S)-3-methyl-3-(oxan-4-yl)pyrrolidine (PubChem CID 166800108) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (3S)-3-methyl-3-(oxan-4-yl)pyrrolidine.

Molecular Properties

Compound Name(3S)-3-methyl-3-(oxan-4-yl)pyrrolidine
PubChem CID166800108
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(3S)-3-methyl-3-(oxan-4-yl)pyrrolidine
SMILESC[C@@]1(C2CCOCC2)CCNC1
InChIInChI=1S/C10H19NO/c1-10(4-5-11-8-10)9-2-6-12-7-3-9/h9,11H,2-8H2,1H3/t10-/m1/s1
InChIKeyVDYBUBBKVIHNRG-SNVBAGLBSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methyloxan-4-yl)piperidine
CID 83906763
4-cyclopropyl-4-methylpiperidine
CID 63156417
3-cyclohexyl-3-methylpiperidine;hydrochloride
CID 69054070
3-methyl-3-(thian-3-yl)pyrrolidine
CID 105441904
3-(oxan-4-yl)piperidin-3-ol
CID 63936867
2-methyl-2-(oxan-4-yl)pyrrolidine;hydrochloride
CID 154808050
N,3-dimethyl-N-(oxan-4-yl)pyrrolidine-3-carboxamide
CID 63139219
2-(oxan-4-yl)-5-azaspiro[2.4]heptane
CID 115016004
4-cyclohexyl-4-methyloxane
CID 58667675
1-[(3-methylpyrrolidin-3-yl)methyl]-4-(oxan-4-yl)piperazine;hydrochloride
CID 120900887
ethane;6-methyl-3-azabicyclo[4.1.0]heptane
CID 154650325
2,2-dimethyl-1-(oxan-4-ylsulfonyl)piperazine
CID 65460955

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-3-(oxan-4-yl)pyrrolidine?
The IUPAC name of (3S)-3-methyl-3-(oxan-4-yl)pyrrolidine (CID 166800108) is (3S)-3-methyl-3-(oxan-4-yl)pyrrolidine.
What is the SMILES notation for (3S)-3-methyl-3-(oxan-4-yl)pyrrolidine?
The canonical SMILES for (3S)-3-methyl-3-(oxan-4-yl)pyrrolidine is C[C@@]1(C2CCOCC2)CCNC1.
What is the InChIKey of (3S)-3-methyl-3-(oxan-4-yl)pyrrolidine?
The InChIKey is VDYBUBBKVIHNRG-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H19NO/c1-10(4-5-11-8-10)9-2-6-12-7-3-9/h9,11H,2-8H2,1H3/t10-/m1/s1.
What are the key properties of (3S)-3-methyl-3-(oxan-4-yl)pyrrolidine?
(3S)-3-methyl-3-(oxan-4-yl)pyrrolidine has a molecular weight of 169.27 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-3-(oxan-4-yl)pyrrolidine is sourced from PubChem (CID 166800108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).