1-[(2R)-3-methylbutan-2-yl]pyrrolidine

C9H19N — CID 59252945

IUPAC1-[(2R)-3-methylbutan-2-yl]pyrrolidine
SMILESCC(C)[C@@H](C)N1CCCC1
InChIInChI=1S/C9H19N/c1-8(2)9(3)10-6-4-5-7-10/h8-9H,4-7H2,1-3H3/t9-/m1/s1
InChIKeyBLXXGLDYCDLLBM-SECBINFHSA-N
MW141.26 g/mol
LogP2.13
Rot. Bonds2

About 1-[(2R)-3-methylbutan-2-yl]pyrrolidine

1-[(2R)-3-methylbutan-2-yl]pyrrolidine (PubChem CID 59252945) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 1-[(2R)-3-methylbutan-2-yl]pyrrolidine.

Molecular Properties

Compound Name1-[(2R)-3-methylbutan-2-yl]pyrrolidine
PubChem CID59252945
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name1-[(2R)-3-methylbutan-2-yl]pyrrolidine
SMILESCC(C)[C@@H](C)N1CCCC1
InChIInChI=1S/C9H19N/c1-8(2)9(3)10-6-4-5-7-10/h8-9H,4-7H2,1-3H3/t9-/m1/s1
InChIKeyBLXXGLDYCDLLBM-SECBINFHSA-N
XLogP2.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-3-methylbutan-2-yl]pyrrolidine?
The IUPAC name of 1-[(2R)-3-methylbutan-2-yl]pyrrolidine (CID 59252945) is 1-[(2R)-3-methylbutan-2-yl]pyrrolidine.
What is the SMILES notation for 1-[(2R)-3-methylbutan-2-yl]pyrrolidine?
The canonical SMILES for 1-[(2R)-3-methylbutan-2-yl]pyrrolidine is CC(C)[C@@H](C)N1CCCC1.
What is the InChIKey of 1-[(2R)-3-methylbutan-2-yl]pyrrolidine?
The InChIKey is BLXXGLDYCDLLBM-SECBINFHSA-N. The full InChI is InChI=1S/C9H19N/c1-8(2)9(3)10-6-4-5-7-10/h8-9H,4-7H2,1-3H3/t9-/m1/s1.
What are the key properties of 1-[(2R)-3-methylbutan-2-yl]pyrrolidine?
1-[(2R)-3-methylbutan-2-yl]pyrrolidine has a molecular weight of 141.26 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-3-methylbutan-2-yl]pyrrolidine is sourced from PubChem (CID 59252945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).