N-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-2-methylpropanamide

C13H22N2O2 — CID 53016340

IUPACN-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCN(C(=O)C2CCC2)C1
InChIInChI=1S/C13H22N2O2/c1-9(2)12(16)14-11-6-7-15(8-11)13(17)10-4-3-5-10/h9-11H,3-8H2,1-2H3,(H,14,16)
InChIKeyBSIYPFSWQHQFNL-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.16
Rot. Bonds3

About N-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-2-methylpropanamide

N-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-2-methylpropanamide (PubChem CID 53016340) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-2-methylpropanamide
PubChem CID53016340
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCN(C(=O)C2CCC2)C1
InChIInChI=1S/C13H22N2O2/c1-9(2)12(16)14-11-6-7-15(8-11)13(17)10-4-3-5-10/h9-11H,3-8H2,1-2H3,(H,14,16)
InChIKeyBSIYPFSWQHQFNL-UHFFFAOYSA-N
XLogP1.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-2-methylpropanamide?
The IUPAC name of N-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-2-methylpropanamide (CID 53016340) is N-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-2-methylpropanamide is CC(C)C(=O)NC1CCN(C(=O)C2CCC2)C1.
What is the InChIKey of N-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-2-methylpropanamide?
The InChIKey is BSIYPFSWQHQFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-9(2)12(16)14-11-6-7-15(8-11)13(17)10-4-3-5-10/h9-11H,3-8H2,1-2H3,(H,14,16).
What are the key properties of N-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-2-methylpropanamide?
N-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-2-methylpropanamide has a molecular weight of 238.33 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-2-methylpropanamide is sourced from PubChem (CID 53016340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).