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

C13H25NO — CID 59610611

IUPAC(2S,4S)-4-cyclopropyloxy-1,2-di(propan-2-yl)pyrrolidine
SMILESCC(C)[C@@H]1C[C@H](OC2CC2)CN1C(C)C
InChIInChI=1S/C13H25NO/c1-9(2)13-7-12(15-11-5-6-11)8-14(13)10(3)4/h9-13H,5-8H2,1-4H3/t12-,13-/m0/s1
InChIKeyAGRQEVKKUNADHS-STQMWFEESA-N
MW211.35 g/mol
LogP2.67
Rot. Bonds4

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

(2S,4S)-4-cyclopropyloxy-1,2-di(propan-2-yl)pyrrolidine (PubChem CID 59610611) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (2S,4S)-4-cyclopropyloxy-1,2-di(propan-2-yl)pyrrolidine.

Molecular Properties

Compound Name(2S,4S)-4-cyclopropyloxy-1,2-di(propan-2-yl)pyrrolidine
PubChem CID59610611
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(2S,4S)-4-cyclopropyloxy-1,2-di(propan-2-yl)pyrrolidine
SMILESCC(C)[C@@H]1C[C@H](OC2CC2)CN1C(C)C
InChIInChI=1S/C13H25NO/c1-9(2)13-7-12(15-11-5-6-11)8-14(13)10(3)4/h9-13H,5-8H2,1-4H3/t12-,13-/m0/s1
InChIKeyAGRQEVKKUNADHS-STQMWFEESA-N
XLogP2.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-cyclopropyloxy-1,2-di(propan-2-yl)pyrrolidine?
The IUPAC name of (2S,4S)-4-cyclopropyloxy-1,2-di(propan-2-yl)pyrrolidine (CID 59610611) is (2S,4S)-4-cyclopropyloxy-1,2-di(propan-2-yl)pyrrolidine.
What is the SMILES notation for (2S,4S)-4-cyclopropyloxy-1,2-di(propan-2-yl)pyrrolidine?
The canonical SMILES for (2S,4S)-4-cyclopropyloxy-1,2-di(propan-2-yl)pyrrolidine is CC(C)[C@@H]1C[C@H](OC2CC2)CN1C(C)C.
What is the InChIKey of (2S,4S)-4-cyclopropyloxy-1,2-di(propan-2-yl)pyrrolidine?
The InChIKey is AGRQEVKKUNADHS-STQMWFEESA-N. The full InChI is InChI=1S/C13H25NO/c1-9(2)13-7-12(15-11-5-6-11)8-14(13)10(3)4/h9-13H,5-8H2,1-4H3/t12-,13-/m0/s1.
What are the key properties of (2S,4S)-4-cyclopropyloxy-1,2-di(propan-2-yl)pyrrolidine?
(2S,4S)-4-cyclopropyloxy-1,2-di(propan-2-yl)pyrrolidine has a molecular weight of 211.35 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-cyclopropyloxy-1,2-di(propan-2-yl)pyrrolidine is sourced from PubChem (CID 59610611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).