N-[(1-ethyl-3-methylpyrrolidin-3-yl)methyl]-N-methylacetamide

C11H22N2O — CID 20598132

IUPACN-[(1-ethyl-3-methylpyrrolidin-3-yl)methyl]-N-methylacetamide
SMILESCCN1CCC(C)(CN(C)C(C)=O)C1
InChIInChI=1S/C11H22N2O/c1-5-13-7-6-11(3,9-13)8-12(4)10(2)14/h5-9H2,1-4H3
InChIKeyPXLACFADOCOAER-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.20
Rot. Bonds3

About N-[(1-ethyl-3-methylpyrrolidin-3-yl)methyl]-N-methylacetamide

N-[(1-ethyl-3-methylpyrrolidin-3-yl)methyl]-N-methylacetamide (PubChem CID 20598132) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-[(1-ethyl-3-methylpyrrolidin-3-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(1-ethyl-3-methylpyrrolidin-3-yl)methyl]-N-methylacetamide
PubChem CID20598132
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-[(1-ethyl-3-methylpyrrolidin-3-yl)methyl]-N-methylacetamide
SMILESCCN1CCC(C)(CN(C)C(C)=O)C1
InChIInChI=1S/C11H22N2O/c1-5-13-7-6-11(3,9-13)8-12(4)10(2)14/h5-9H2,1-4H3
InChIKeyPXLACFADOCOAER-UHFFFAOYSA-N
XLogP1.20
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3-methylpyrrolidin-3-yl)methyl]-N-methylacetamide?
The IUPAC name of N-[(1-ethyl-3-methylpyrrolidin-3-yl)methyl]-N-methylacetamide (CID 20598132) is N-[(1-ethyl-3-methylpyrrolidin-3-yl)methyl]-N-methylacetamide.
What is the SMILES notation for N-[(1-ethyl-3-methylpyrrolidin-3-yl)methyl]-N-methylacetamide?
The canonical SMILES for N-[(1-ethyl-3-methylpyrrolidin-3-yl)methyl]-N-methylacetamide is CCN1CCC(C)(CN(C)C(C)=O)C1.
What is the InChIKey of N-[(1-ethyl-3-methylpyrrolidin-3-yl)methyl]-N-methylacetamide?
The InChIKey is PXLACFADOCOAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-5-13-7-6-11(3,9-13)8-12(4)10(2)14/h5-9H2,1-4H3.
What are the key properties of N-[(1-ethyl-3-methylpyrrolidin-3-yl)methyl]-N-methylacetamide?
N-[(1-ethyl-3-methylpyrrolidin-3-yl)methyl]-N-methylacetamide has a molecular weight of 198.31 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3-methylpyrrolidin-3-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 20598132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).