N-(3,3-dimethyl-2-oxopyrrolidin-1-yl)butanamide

C10H18N2O2 — CID 139797965

IUPACN-(3,3-dimethyl-2-oxopyrrolidin-1-yl)butanamide
SMILESCCCC(=O)NN1CCC(C)(C)C1=O
InChIInChI=1S/C10H18N2O2/c1-4-5-8(13)11-12-7-6-10(2,3)9(12)14/h4-7H2,1-3H3,(H,11,13)
InChIKeyLEXNNABABDLIGA-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.08
Rot. Bonds3

About N-(3,3-dimethyl-2-oxopyrrolidin-1-yl)butanamide

N-(3,3-dimethyl-2-oxopyrrolidin-1-yl)butanamide (PubChem CID 139797965) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-(3,3-dimethyl-2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-2-oxopyrrolidin-1-yl)butanamide
PubChem CID139797965
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameN-(3,3-dimethyl-2-oxopyrrolidin-1-yl)butanamide
SMILESCCCC(=O)NN1CCC(C)(C)C1=O
InChIInChI=1S/C10H18N2O2/c1-4-5-8(13)11-12-7-6-10(2,3)9(12)14/h4-7H2,1-3H3,(H,11,13)
InChIKeyLEXNNABABDLIGA-UHFFFAOYSA-N
XLogP1.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of N-(3,3-dimethyl-2-oxopyrrolidin-1-yl)butanamide (CID 139797965) is N-(3,3-dimethyl-2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-(3,3-dimethyl-2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for N-(3,3-dimethyl-2-oxopyrrolidin-1-yl)butanamide is CCCC(=O)NN1CCC(C)(C)C1=O.
What is the InChIKey of N-(3,3-dimethyl-2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is LEXNNABABDLIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-4-5-8(13)11-12-7-6-10(2,3)9(12)14/h4-7H2,1-3H3,(H,11,13).
What are the key properties of N-(3,3-dimethyl-2-oxopyrrolidin-1-yl)butanamide?
N-(3,3-dimethyl-2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 198.27 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 139797965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).