1-(2-butylpyrazolidin-1-yl)butan-1-one

C11H22N2O — CID 58711197

IUPAC1-(2-butylpyrazolidin-1-yl)butan-1-one
SMILESCCCCN1CCCN1C(=O)CCC
InChIInChI=1S/C11H22N2O/c1-3-5-8-12-9-6-10-13(12)11(14)7-4-2/h3-10H2,1-2H3
InChIKeyLSBYGFGNGRHOGF-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.04
Rot. Bonds5

About 1-(2-butylpyrazolidin-1-yl)butan-1-one

1-(2-butylpyrazolidin-1-yl)butan-1-one (PubChem CID 58711197) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(2-butylpyrazolidin-1-yl)butan-1-one.

Molecular Properties

Compound Name1-(2-butylpyrazolidin-1-yl)butan-1-one
PubChem CID58711197
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-(2-butylpyrazolidin-1-yl)butan-1-one
SMILESCCCCN1CCCN1C(=O)CCC
InChIInChI=1S/C11H22N2O/c1-3-5-8-12-9-6-10-13(12)11(14)7-4-2/h3-10H2,1-2H3
InChIKeyLSBYGFGNGRHOGF-UHFFFAOYSA-N
XLogP2.04
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-butylpyrazolidin-1-yl)butan-1-one?
The IUPAC name of 1-(2-butylpyrazolidin-1-yl)butan-1-one (CID 58711197) is 1-(2-butylpyrazolidin-1-yl)butan-1-one.
What is the SMILES notation for 1-(2-butylpyrazolidin-1-yl)butan-1-one?
The canonical SMILES for 1-(2-butylpyrazolidin-1-yl)butan-1-one is CCCCN1CCCN1C(=O)CCC.
What is the InChIKey of 1-(2-butylpyrazolidin-1-yl)butan-1-one?
The InChIKey is LSBYGFGNGRHOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-5-8-12-9-6-10-13(12)11(14)7-4-2/h3-10H2,1-2H3.
What are the key properties of 1-(2-butylpyrazolidin-1-yl)butan-1-one?
1-(2-butylpyrazolidin-1-yl)butan-1-one has a molecular weight of 198.31 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butylpyrazolidin-1-yl)butan-1-one is sourced from PubChem (CID 58711197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).