N-[(2,2-dimethylcyclopropyl)methyl]-2-pyrrolidin-2-ylacetamide

C12H22N2O — CID 103811357

IUPACN-[(2,2-dimethylcyclopropyl)methyl]-2-pyrrolidin-2-ylacetamide
SMILESCC1(C)CC1CNC(=O)CC1CCCN1
InChIInChI=1S/C12H22N2O/c1-12(2)7-9(12)8-14-11(15)6-10-4-3-5-13-10/h9-10,13H,3-8H2,1-2H3,(H,14,15)
InChIKeyRPROOXVJNYDPHY-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.29
Rot. Bonds4

About N-[(2,2-dimethylcyclopropyl)methyl]-2-pyrrolidin-2-ylacetamide

N-[(2,2-dimethylcyclopropyl)methyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 103811357) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-[(2,2-dimethylcyclopropyl)methyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[(2,2-dimethylcyclopropyl)methyl]-2-pyrrolidin-2-ylacetamide
PubChem CID103811357
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-[(2,2-dimethylcyclopropyl)methyl]-2-pyrrolidin-2-ylacetamide
SMILESCC1(C)CC1CNC(=O)CC1CCCN1
InChIInChI=1S/C12H22N2O/c1-12(2)7-9(12)8-14-11(15)6-10-4-3-5-13-10/h9-10,13H,3-8H2,1-2H3,(H,14,15)
InChIKeyRPROOXVJNYDPHY-UHFFFAOYSA-N
XLogP1.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylcyclopropyl)methyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[(2,2-dimethylcyclopropyl)methyl]-2-pyrrolidin-2-ylacetamide (CID 103811357) is N-[(2,2-dimethylcyclopropyl)methyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[(2,2-dimethylcyclopropyl)methyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[(2,2-dimethylcyclopropyl)methyl]-2-pyrrolidin-2-ylacetamide is CC1(C)CC1CNC(=O)CC1CCCN1.
What is the InChIKey of N-[(2,2-dimethylcyclopropyl)methyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is RPROOXVJNYDPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-12(2)7-9(12)8-14-11(15)6-10-4-3-5-13-10/h9-10,13H,3-8H2,1-2H3,(H,14,15).
What are the key properties of N-[(2,2-dimethylcyclopropyl)methyl]-2-pyrrolidin-2-ylacetamide?
N-[(2,2-dimethylcyclopropyl)methyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 210.32 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylcyclopropyl)methyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 103811357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).