1-(2-propan-2-ylpyrazolidin-1-yl)butan-1-one

C10H20N2O — CID 59124846

IUPAC1-(2-propan-2-ylpyrazolidin-1-yl)butan-1-one
SMILESCCCC(=O)N1CCCN1C(C)C
InChIInChI=1S/C10H20N2O/c1-4-6-10(13)12-8-5-7-11(12)9(2)3/h9H,4-8H2,1-3H3
InChIKeyQNPMQWSPNGAWMM-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.64
Rot. Bonds3

About 1-(2-propan-2-ylpyrazolidin-1-yl)butan-1-one

1-(2-propan-2-ylpyrazolidin-1-yl)butan-1-one (PubChem CID 59124846) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(2-propan-2-ylpyrazolidin-1-yl)butan-1-one.

Molecular Properties

Compound Name1-(2-propan-2-ylpyrazolidin-1-yl)butan-1-one
PubChem CID59124846
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-(2-propan-2-ylpyrazolidin-1-yl)butan-1-one
SMILESCCCC(=O)N1CCCN1C(C)C
InChIInChI=1S/C10H20N2O/c1-4-6-10(13)12-8-5-7-11(12)9(2)3/h9H,4-8H2,1-3H3
InChIKeyQNPMQWSPNGAWMM-UHFFFAOYSA-N
XLogP1.64
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-ylpyrazolidin-1-yl)butan-1-one?
The IUPAC name of 1-(2-propan-2-ylpyrazolidin-1-yl)butan-1-one (CID 59124846) is 1-(2-propan-2-ylpyrazolidin-1-yl)butan-1-one.
What is the SMILES notation for 1-(2-propan-2-ylpyrazolidin-1-yl)butan-1-one?
The canonical SMILES for 1-(2-propan-2-ylpyrazolidin-1-yl)butan-1-one is CCCC(=O)N1CCCN1C(C)C.
What is the InChIKey of 1-(2-propan-2-ylpyrazolidin-1-yl)butan-1-one?
The InChIKey is QNPMQWSPNGAWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-4-6-10(13)12-8-5-7-11(12)9(2)3/h9H,4-8H2,1-3H3.
What are the key properties of 1-(2-propan-2-ylpyrazolidin-1-yl)butan-1-one?
1-(2-propan-2-ylpyrazolidin-1-yl)butan-1-one has a molecular weight of 184.28 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-ylpyrazolidin-1-yl)butan-1-one is sourced from PubChem (CID 59124846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).