N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2,2-dimethylpropanamide

C13H22N2O2 — CID 53016371

IUPACN-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1CCN(C(=O)C2CC2)C1
InChIInChI=1S/C13H22N2O2/c1-13(2,3)12(17)14-10-6-7-15(8-10)11(16)9-4-5-9/h9-10H,4-8H2,1-3H3,(H,14,17)
InChIKeyIMLOKYZOEPAXFR-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.16
Rot. Bonds2

About N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2,2-dimethylpropanamide

N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2,2-dimethylpropanamide (PubChem CID 53016371) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2,2-dimethylpropanamide
PubChem CID53016371
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1CCN(C(=O)C2CC2)C1
InChIInChI=1S/C13H22N2O2/c1-13(2,3)12(17)14-10-6-7-15(8-10)11(16)9-4-5-9/h9-10H,4-8H2,1-3H3,(H,14,17)
InChIKeyIMLOKYZOEPAXFR-UHFFFAOYSA-N
XLogP1.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2,2-dimethylpropanamide (CID 53016371) is N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC1CCN(C(=O)C2CC2)C1.
What is the InChIKey of N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2,2-dimethylpropanamide?
The InChIKey is IMLOKYZOEPAXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-13(2,3)12(17)14-10-6-7-15(8-10)11(16)9-4-5-9/h9-10H,4-8H2,1-3H3,(H,14,17).
What are the key properties of N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2,2-dimethylpropanamide?
N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2,2-dimethylpropanamide has a molecular weight of 238.33 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 53016371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).