(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine

C9H17NO2 — CID 10773501

IUPAC(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine
SMILESCC1(C)OC[C@H]([C@H]2CCCN2)O1
InChIInChI=1S/C9H17NO2/c1-9(2)11-6-8(12-9)7-4-3-5-10-7/h7-8,10H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyCXXMTLAXHHBVTR-HTQZYQBOSA-N
MW171.24 g/mol
LogP0.89
Rot. Bonds1

About (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine

(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine (PubChem CID 10773501) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine.

Molecular Properties

Compound Name(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine
PubChem CID10773501
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine
SMILESCC1(C)OC[C@H]([C@H]2CCCN2)O1
InChIInChI=1S/C9H17NO2/c1-9(2)11-6-8(12-9)7-4-3-5-10-7/h7-8,10H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyCXXMTLAXHHBVTR-HTQZYQBOSA-N
XLogP0.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine?
The IUPAC name of (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine (CID 10773501) is (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine.
What is the SMILES notation for (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine?
The canonical SMILES for (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine is CC1(C)OC[C@H]([C@H]2CCCN2)O1.
What is the InChIKey of (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine?
The InChIKey is CXXMTLAXHHBVTR-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H17NO2/c1-9(2)11-6-8(12-9)7-4-3-5-10-7/h7-8,10H,3-6H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine?
(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine has a molecular weight of 171.24 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine is sourced from PubChem (CID 10773501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).