(2S)-2-(3-methoxypentan-3-yl)pyrrolidine

C10H21NO — CID 10931875

IUPAC(2S)-2-(3-methoxypentan-3-yl)pyrrolidine
SMILESCCC(CC)(OC)[C@@H]1CCCN1
InChIInChI=1S/C10H21NO/c1-4-10(5-2,12-3)9-7-6-8-11-9/h9,11H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyAYPVCAMFUQUTEW-VIFPVBQESA-N
MW171.28 g/mol
LogP1.94
Rot. Bonds4

About (2S)-2-(3-methoxypentan-3-yl)pyrrolidine

(2S)-2-(3-methoxypentan-3-yl)pyrrolidine (PubChem CID 10931875) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (2S)-2-(3-methoxypentan-3-yl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(3-methoxypentan-3-yl)pyrrolidine
PubChem CID10931875
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(2S)-2-(3-methoxypentan-3-yl)pyrrolidine
SMILESCCC(CC)(OC)[C@@H]1CCCN1
InChIInChI=1S/C10H21NO/c1-4-10(5-2,12-3)9-7-6-8-11-9/h9,11H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyAYPVCAMFUQUTEW-VIFPVBQESA-N
XLogP1.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-methoxypentan-3-yl)pyrrolidine?
The IUPAC name of (2S)-2-(3-methoxypentan-3-yl)pyrrolidine (CID 10931875) is (2S)-2-(3-methoxypentan-3-yl)pyrrolidine.
What is the SMILES notation for (2S)-2-(3-methoxypentan-3-yl)pyrrolidine?
The canonical SMILES for (2S)-2-(3-methoxypentan-3-yl)pyrrolidine is CCC(CC)(OC)[C@@H]1CCCN1.
What is the InChIKey of (2S)-2-(3-methoxypentan-3-yl)pyrrolidine?
The InChIKey is AYPVCAMFUQUTEW-VIFPVBQESA-N. The full InChI is InChI=1S/C10H21NO/c1-4-10(5-2,12-3)9-7-6-8-11-9/h9,11H,4-8H2,1-3H3/t9-/m0/s1.
What are the key properties of (2S)-2-(3-methoxypentan-3-yl)pyrrolidine?
(2S)-2-(3-methoxypentan-3-yl)pyrrolidine has a molecular weight of 171.28 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-methoxypentan-3-yl)pyrrolidine is sourced from PubChem (CID 10931875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).