2-methyl-1-(3-oxobutyl)pyrazolidin-3-one

C8H14N2O2 — CID 105434501

IUPAC2-methyl-1-(3-oxobutyl)pyrazolidin-3-one
SMILESCC(=O)CCN1CCC(=O)N1C
InChIInChI=1S/C8H14N2O2/c1-7(11)3-5-10-6-4-8(12)9(10)2/h3-6H2,1-2H3
InChIKeyBNACLILGEGUUPP-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.04
Rot. Bonds3

About 2-methyl-1-(3-oxobutyl)pyrazolidin-3-one

2-methyl-1-(3-oxobutyl)pyrazolidin-3-one (PubChem CID 105434501) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-methyl-1-(3-oxobutyl)pyrazolidin-3-one.

Molecular Properties

Compound Name2-methyl-1-(3-oxobutyl)pyrazolidin-3-one
PubChem CID105434501
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name2-methyl-1-(3-oxobutyl)pyrazolidin-3-one
SMILESCC(=O)CCN1CCC(=O)N1C
InChIInChI=1S/C8H14N2O2/c1-7(11)3-5-10-6-4-8(12)9(10)2/h3-6H2,1-2H3
InChIKeyBNACLILGEGUUPP-UHFFFAOYSA-N
XLogP0.04
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-Dimethylpyrazolidinone
CID 15173886
1,2-Dipropylpyrazolidine-3,5-dione
CID 9899023
1-Acetyl-2-methylpyrazolidin-3-one
CID 18183469
1,2-Diethylpyrazolidin-3-one
CID 21817259
1,2-Diethylpyrazolidine-3,5-dione
CID 22287697
1,2-Dimethylpyrazolidine-3,4-dione
CID 22757021
1,1'-(3-Oxopyrazolidine-1,2-diyl)diethanone
CID 45086530
1-(2-Acetylpyrazolidin-1-yl)propane-1,2-dione
CID 59881295
1-(2-Methylpyrazolidin-1-yl)propane-1,2-dione
CID 59881304
N-methyl-N-pyrrolidin-1-ylpropanamide
CID 69106575
2-Ethyl-1-methylpyrazolidin-3-one
CID 118930164
1,2-Dibutylpyrazolidine-3,5-dione
CID 135365534

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-oxobutyl)pyrazolidin-3-one?
The IUPAC name of 2-methyl-1-(3-oxobutyl)pyrazolidin-3-one (CID 105434501) is 2-methyl-1-(3-oxobutyl)pyrazolidin-3-one.
What is the SMILES notation for 2-methyl-1-(3-oxobutyl)pyrazolidin-3-one?
The canonical SMILES for 2-methyl-1-(3-oxobutyl)pyrazolidin-3-one is CC(=O)CCN1CCC(=O)N1C.
What is the InChIKey of 2-methyl-1-(3-oxobutyl)pyrazolidin-3-one?
The InChIKey is BNACLILGEGUUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-7(11)3-5-10-6-4-8(12)9(10)2/h3-6H2,1-2H3.
What are the key properties of 2-methyl-1-(3-oxobutyl)pyrazolidin-3-one?
2-methyl-1-(3-oxobutyl)pyrazolidin-3-one has a molecular weight of 170.21 g/mol, XLogP of 0.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-oxobutyl)pyrazolidin-3-one is sourced from PubChem (CID 105434501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).