1-butan-2-ylpyrrolidine

C8H17N — CID 12773423

IUPAC1-butan-2-ylpyrrolidine
SMILESCCC(C)N1CCCC1
InChIInChI=1S/C8H17N/c1-3-8(2)9-6-4-5-7-9/h8H,3-7H2,1-2H3
InChIKeyYSOZFXKDKRMJNG-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.88
Rot. Bonds2

About 1-butan-2-ylpyrrolidine

1-butan-2-ylpyrrolidine (PubChem CID 12773423) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is 1-butan-2-ylpyrrolidine.

Molecular Properties

Compound Name1-butan-2-ylpyrrolidine
PubChem CID12773423
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name1-butan-2-ylpyrrolidine
SMILESCCC(C)N1CCCC1
InChIInChI=1S/C8H17N/c1-3-8(2)9-6-4-5-7-9/h8H,3-7H2,1-2H3
InChIKeyYSOZFXKDKRMJNG-UHFFFAOYSA-N
XLogP1.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-ylpyrrolidine?
The IUPAC name of 1-butan-2-ylpyrrolidine (CID 12773423) is 1-butan-2-ylpyrrolidine.
What is the SMILES notation for 1-butan-2-ylpyrrolidine?
The canonical SMILES for 1-butan-2-ylpyrrolidine is CCC(C)N1CCCC1.
What is the InChIKey of 1-butan-2-ylpyrrolidine?
The InChIKey is YSOZFXKDKRMJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-3-8(2)9-6-4-5-7-9/h8H,3-7H2,1-2H3.
What are the key properties of 1-butan-2-ylpyrrolidine?
1-butan-2-ylpyrrolidine has a molecular weight of 127.23 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-ylpyrrolidine is sourced from PubChem (CID 12773423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).