2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(tetrazol-1-yl)ethyl]acetamide

C11H21N7O — CID 91841393

IUPAC2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(tetrazol-1-yl)ethyl]acetamide
SMILESCN(C)C1CCN(CC(=O)NCCn2cnnn2)C1
InChIInChI=1S/C11H21N7O/c1-16(2)10-3-5-17(7-10)8-11(19)12-4-6-18-9-13-14-15-18/h9-10H,3-8H2,1-2H3,(H,12,19)
InChIKeyDWGVIEVBGONYOD-UHFFFAOYSA-N
MW267.34 g/mol
LogP-1.57
Rot. Bonds6

About 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(tetrazol-1-yl)ethyl]acetamide

2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(tetrazol-1-yl)ethyl]acetamide (PubChem CID 91841393) has the molecular formula C11H21N7O and a molecular weight of 267.34 g/mol. Its IUPAC name is 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(tetrazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(tetrazol-1-yl)ethyl]acetamide
PubChem CID91841393
Molecular FormulaC11H21N7O
Molecular Weight267.34 g/mol
Exact Mass267.18
IUPAC Name2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(tetrazol-1-yl)ethyl]acetamide
SMILESCN(C)C1CCN(CC(=O)NCCn2cnnn2)C1
InChIInChI=1S/C11H21N7O/c1-16(2)10-3-5-17(7-10)8-11(19)12-4-6-18-9-13-14-15-18/h9-10H,3-8H2,1-2H3,(H,12,19)
InChIKeyDWGVIEVBGONYOD-UHFFFAOYSA-N
XLogP-1.57
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 5-1.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(tetrazol-1-yl)ethyl]acetamide?
The IUPAC name of 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(tetrazol-1-yl)ethyl]acetamide (CID 91841393) is 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(tetrazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(tetrazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(tetrazol-1-yl)ethyl]acetamide is CN(C)C1CCN(CC(=O)NCCn2cnnn2)C1.
What is the InChIKey of 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(tetrazol-1-yl)ethyl]acetamide?
The InChIKey is DWGVIEVBGONYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N7O/c1-16(2)10-3-5-17(7-10)8-11(19)12-4-6-18-9-13-14-15-18/h9-10H,3-8H2,1-2H3,(H,12,19).
What are the key properties of 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(tetrazol-1-yl)ethyl]acetamide?
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(tetrazol-1-yl)ethyl]acetamide has a molecular weight of 267.34 g/mol, XLogP of -1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(tetrazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 91841393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).