(2S,4S)-4-(oxolan-2-yl)-1,2-di(propan-2-yl)pyrrolidine

C14H27NO — CID 59610661

IUPAC(2S,4S)-4-(oxolan-2-yl)-1,2-di(propan-2-yl)pyrrolidine
SMILESCC(C)[C@@H]1C[C@H](C2CCCO2)CN1C(C)C
InChIInChI=1S/C14H27NO/c1-10(2)13-8-12(9-15(13)11(3)4)14-6-5-7-16-14/h10-14H,5-9H2,1-4H3/t12-,13-,14?/m0/s1
InChIKeyKILAWUFLVQJRMS-RFHHWMCGSA-N
MW225.38 g/mol
LogP2.92
Rot. Bonds3

About (2S,4S)-4-(oxolan-2-yl)-1,2-di(propan-2-yl)pyrrolidine

(2S,4S)-4-(oxolan-2-yl)-1,2-di(propan-2-yl)pyrrolidine (PubChem CID 59610661) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is (2S,4S)-4-(oxolan-2-yl)-1,2-di(propan-2-yl)pyrrolidine.

Molecular Properties

Compound Name(2S,4S)-4-(oxolan-2-yl)-1,2-di(propan-2-yl)pyrrolidine
PubChem CID59610661
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name(2S,4S)-4-(oxolan-2-yl)-1,2-di(propan-2-yl)pyrrolidine
SMILESCC(C)[C@@H]1C[C@H](C2CCCO2)CN1C(C)C
InChIInChI=1S/C14H27NO/c1-10(2)13-8-12(9-15(13)11(3)4)14-6-5-7-16-14/h10-14H,5-9H2,1-4H3/t12-,13-,14?/m0/s1
InChIKeyKILAWUFLVQJRMS-RFHHWMCGSA-N
XLogP2.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]-1,3-oxazole;5-[(3S,5S)-1,5-di(propan-2-yl)pyrrolidin-3-yl]-1,3-thiazole;(2S,4S)-4-(furan-2-yl)-1,2-di(propan-2-yl)pyrrolidine;(2S,4S)-4-(oxolan-2-yl)-1,2-di(propan-2-yl)pyrrolidine
CID 158763083
(4aR,7aR)-4-propan-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 170523770
(3R,5S)-1,5-di(propan-2-yl)pyrrolidin-3-ol
CID 99134697
(2R)-2,3-di(propan-2-yl)-3-azabicyclo[3.2.0]heptane
CID 166831910
(2S,4S)-4-cyclopropyloxy-1,2-di(propan-2-yl)pyrrolidine
CID 59610611
2-[3-(cyclopentylmethyl)cyclobutyl]oxolane
CID 137483754
3,4-di(propan-2-yl)-1,3-oxazinane
CID 146614615
(2S)-1,2-di(propan-2-yl)pyrrolidine
CID 59966007
(2R)-1,2-di(propan-2-yl)pyrrolidine
CID 59965991
(1R)-2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane
CID 166773781
4-methyl-1,2-di(propan-2-yl)piperidine
CID 141078246
(4aS,8aR)-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine
CID 166493348

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-(oxolan-2-yl)-1,2-di(propan-2-yl)pyrrolidine?
The IUPAC name of (2S,4S)-4-(oxolan-2-yl)-1,2-di(propan-2-yl)pyrrolidine (CID 59610661) is (2S,4S)-4-(oxolan-2-yl)-1,2-di(propan-2-yl)pyrrolidine.
What is the SMILES notation for (2S,4S)-4-(oxolan-2-yl)-1,2-di(propan-2-yl)pyrrolidine?
The canonical SMILES for (2S,4S)-4-(oxolan-2-yl)-1,2-di(propan-2-yl)pyrrolidine is CC(C)[C@@H]1C[C@H](C2CCCO2)CN1C(C)C.
What is the InChIKey of (2S,4S)-4-(oxolan-2-yl)-1,2-di(propan-2-yl)pyrrolidine?
The InChIKey is KILAWUFLVQJRMS-RFHHWMCGSA-N. The full InChI is InChI=1S/C14H27NO/c1-10(2)13-8-12(9-15(13)11(3)4)14-6-5-7-16-14/h10-14H,5-9H2,1-4H3/t12-,13-,14?/m0/s1.
What are the key properties of (2S,4S)-4-(oxolan-2-yl)-1,2-di(propan-2-yl)pyrrolidine?
(2S,4S)-4-(oxolan-2-yl)-1,2-di(propan-2-yl)pyrrolidine has a molecular weight of 225.38 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-(oxolan-2-yl)-1,2-di(propan-2-yl)pyrrolidine is sourced from PubChem (CID 59610661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).