(2S)-2-(oxan-4-yl)pyrrolidine

C9H17NO — CID 94891765

IUPAC(2S)-2-(oxan-4-yl)pyrrolidine
SMILESC1CN[C@H](C2CCOCC2)C1
InChIInChI=1S/C9H17NO/c1-2-9(10-5-1)8-3-6-11-7-4-8/h8-10H,1-7H2/t9-/m0/s1
InChIKeyNTAYTBQWOPZZIL-VIFPVBQESA-N
MW155.24 g/mol
LogP1.16
Rot. Bonds1

About (2S)-2-(oxan-4-yl)pyrrolidine

(2S)-2-(oxan-4-yl)pyrrolidine (PubChem CID 94891765) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (2S)-2-(oxan-4-yl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(oxan-4-yl)pyrrolidine
PubChem CID94891765
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(2S)-2-(oxan-4-yl)pyrrolidine
SMILESC1CN[C@H](C2CCOCC2)C1
InChIInChI=1S/C9H17NO/c1-2-9(10-5-1)8-3-6-11-7-4-8/h8-10H,1-7H2/t9-/m0/s1
InChIKeyNTAYTBQWOPZZIL-VIFPVBQESA-N
XLogP1.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentylpyrrolidine
CID 4031549
(4aS,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-pyrano[4,3-b]pyridine
CID 92794225
2-cycloheptylpyrrolidine;hydrochloride
CID 115023231
(5aR,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-benzo[b]azepine
CID 92720077
2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine;ethane
CID 142196659
2-[2,2-difluoro-3-(oxan-4-yl)cyclopropyl]piperidine;hydrochloride
CID 126845508
2-cyclodecylazecane
CID 126739440
(2S)-2-cyclohexylpiperidine
CID 7016471
4-pyrrolidin-2-ylcyclohexan-1-amine
CID 83262531
1,2,3,3a,4,5,7,7a-octahydropyrano[3,4-b]pyrrole
CID 68902591
2-cycloheptylpiperidine;hydrochloride
CID 115030388
2-(4-cyclohexylcyclohexyl)piperidine
CID 83404287

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(oxan-4-yl)pyrrolidine?
The IUPAC name of (2S)-2-(oxan-4-yl)pyrrolidine (CID 94891765) is (2S)-2-(oxan-4-yl)pyrrolidine.
What is the SMILES notation for (2S)-2-(oxan-4-yl)pyrrolidine?
The canonical SMILES for (2S)-2-(oxan-4-yl)pyrrolidine is C1CN[C@H](C2CCOCC2)C1.
What is the InChIKey of (2S)-2-(oxan-4-yl)pyrrolidine?
The InChIKey is NTAYTBQWOPZZIL-VIFPVBQESA-N. The full InChI is InChI=1S/C9H17NO/c1-2-9(10-5-1)8-3-6-11-7-4-8/h8-10H,1-7H2/t9-/m0/s1.
What are the key properties of (2S)-2-(oxan-4-yl)pyrrolidine?
(2S)-2-(oxan-4-yl)pyrrolidine has a molecular weight of 155.24 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(oxan-4-yl)pyrrolidine is sourced from PubChem (CID 94891765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).