(3R)-3-(3-methylbutoxy)pyrrolidine

C9H19NO — CID 26191825

IUPAC(3R)-3-(3-methylbutoxy)pyrrolidine
SMILESCC(C)CCO[C@@H]1CCNC1
InChIInChI=1S/C9H19NO/c1-8(2)4-6-11-9-3-5-10-7-9/h8-10H,3-7H2,1-2H3/t9-/m1/s1
InChIKeyRPPGMZVKEWPDGB-SECBINFHSA-N
MW157.26 g/mol
LogP1.41
Rot. Bonds4

About (3R)-3-(3-methylbutoxy)pyrrolidine

(3R)-3-(3-methylbutoxy)pyrrolidine (PubChem CID 26191825) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (3R)-3-(3-methylbutoxy)pyrrolidine.

Molecular Properties

Compound Name(3R)-3-(3-methylbutoxy)pyrrolidine
PubChem CID26191825
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(3R)-3-(3-methylbutoxy)pyrrolidine
SMILESCC(C)CCO[C@@H]1CCNC1
InChIInChI=1S/C9H19NO/c1-8(2)4-6-11-9-3-5-10-7-9/h8-10H,3-7H2,1-2H3/t9-/m1/s1
InChIKeyRPPGMZVKEWPDGB-SECBINFHSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-methylbutoxy)pyrrolidine?
The IUPAC name of (3R)-3-(3-methylbutoxy)pyrrolidine (CID 26191825) is (3R)-3-(3-methylbutoxy)pyrrolidine.
What is the SMILES notation for (3R)-3-(3-methylbutoxy)pyrrolidine?
The canonical SMILES for (3R)-3-(3-methylbutoxy)pyrrolidine is CC(C)CCO[C@@H]1CCNC1.
What is the InChIKey of (3R)-3-(3-methylbutoxy)pyrrolidine?
The InChIKey is RPPGMZVKEWPDGB-SECBINFHSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(2)4-6-11-9-3-5-10-7-9/h8-10H,3-7H2,1-2H3/t9-/m1/s1.
What are the key properties of (3R)-3-(3-methylbutoxy)pyrrolidine?
(3R)-3-(3-methylbutoxy)pyrrolidine has a molecular weight of 157.26 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-methylbutoxy)pyrrolidine is sourced from PubChem (CID 26191825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).