2-(2-oxopyrrolidin-1-yl)-N',N'-di(propan-2-yl)butanehydrazide

C14H27N3O2 — CID 70608692

IUPAC2-(2-oxopyrrolidin-1-yl)-N',N'-di(propan-2-yl)butanehydrazide
SMILESCCC(C(=O)NN(C(C)C)C(C)C)N1CCCC1=O
InChIInChI=1S/C14H27N3O2/c1-6-12(16-9-7-8-13(16)18)14(19)15-17(10(2)3)11(4)5/h10-12H,6-9H2,1-5H3,(H,15,19)
InChIKeyKHSNQTUDNJEMCL-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.54
Rot. Bonds6

About 2-(2-oxopyrrolidin-1-yl)-N',N'-di(propan-2-yl)butanehydrazide

2-(2-oxopyrrolidin-1-yl)-N',N'-di(propan-2-yl)butanehydrazide (PubChem CID 70608692) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-(2-oxopyrrolidin-1-yl)-N',N'-di(propan-2-yl)butanehydrazide.

Molecular Properties

Compound Name2-(2-oxopyrrolidin-1-yl)-N',N'-di(propan-2-yl)butanehydrazide
PubChem CID70608692
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-(2-oxopyrrolidin-1-yl)-N',N'-di(propan-2-yl)butanehydrazide
SMILESCCC(C(=O)NN(C(C)C)C(C)C)N1CCCC1=O
InChIInChI=1S/C14H27N3O2/c1-6-12(16-9-7-8-13(16)18)14(19)15-17(10(2)3)11(4)5/h10-12H,6-9H2,1-5H3,(H,15,19)
InChIKeyKHSNQTUDNJEMCL-UHFFFAOYSA-N
XLogP1.54
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopyrrolidin-1-yl)-N',N'-di(propan-2-yl)butanehydrazide?
The IUPAC name of 2-(2-oxopyrrolidin-1-yl)-N',N'-di(propan-2-yl)butanehydrazide (CID 70608692) is 2-(2-oxopyrrolidin-1-yl)-N',N'-di(propan-2-yl)butanehydrazide.
What is the SMILES notation for 2-(2-oxopyrrolidin-1-yl)-N',N'-di(propan-2-yl)butanehydrazide?
The canonical SMILES for 2-(2-oxopyrrolidin-1-yl)-N',N'-di(propan-2-yl)butanehydrazide is CCC(C(=O)NN(C(C)C)C(C)C)N1CCCC1=O.
What is the InChIKey of 2-(2-oxopyrrolidin-1-yl)-N',N'-di(propan-2-yl)butanehydrazide?
The InChIKey is KHSNQTUDNJEMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-6-12(16-9-7-8-13(16)18)14(19)15-17(10(2)3)11(4)5/h10-12H,6-9H2,1-5H3,(H,15,19).
What are the key properties of 2-(2-oxopyrrolidin-1-yl)-N',N'-di(propan-2-yl)butanehydrazide?
2-(2-oxopyrrolidin-1-yl)-N',N'-di(propan-2-yl)butanehydrazide has a molecular weight of 269.39 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopyrrolidin-1-yl)-N',N'-di(propan-2-yl)butanehydrazide is sourced from PubChem (CID 70608692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).