2-[2-(methoxymethyl)-1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]acetamide

C14H21N3O3 — CID 132776077

IUPAC2-[2-(methoxymethyl)-1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]acetamide
SMILESCOCC1(CC(N)=O)CCCN1C(=O)c1cccn1C
InChIInChI=1S/C14H21N3O3/c1-16-7-3-5-11(16)13(19)17-8-4-6-14(17,10-20-2)9-12(15)18/h3,5,7H,4,6,8-10H2,1-2H3,(H2,15,18)
InChIKeyLISFGTPUAOMTEV-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.52
Rot. Bonds5

About 2-[2-(methoxymethyl)-1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]acetamide

2-[2-(methoxymethyl)-1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]acetamide (PubChem CID 132776077) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[2-(methoxymethyl)-1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]acetamide.

Molecular Properties

Compound Name2-[2-(methoxymethyl)-1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]acetamide
PubChem CID132776077
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-[2-(methoxymethyl)-1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]acetamide
SMILESCOCC1(CC(N)=O)CCCN1C(=O)c1cccn1C
InChIInChI=1S/C14H21N3O3/c1-16-7-3-5-11(16)13(19)17-8-4-6-14(17,10-20-2)9-12(15)18/h3,5,7H,4,6,8-10H2,1-2H3,(H2,15,18)
InChIKeyLISFGTPUAOMTEV-UHFFFAOYSA-N
XLogP0.52
TPSA77.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(methoxymethyl)-1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]acetamide?
The IUPAC name of 2-[2-(methoxymethyl)-1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]acetamide (CID 132776077) is 2-[2-(methoxymethyl)-1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]acetamide.
What is the SMILES notation for 2-[2-(methoxymethyl)-1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]acetamide?
The canonical SMILES for 2-[2-(methoxymethyl)-1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]acetamide is COCC1(CC(N)=O)CCCN1C(=O)c1cccn1C.
What is the InChIKey of 2-[2-(methoxymethyl)-1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]acetamide?
The InChIKey is LISFGTPUAOMTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-16-7-3-5-11(16)13(19)17-8-4-6-14(17,10-20-2)9-12(15)18/h3,5,7H,4,6,8-10H2,1-2H3,(H2,15,18).
What are the key properties of 2-[2-(methoxymethyl)-1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]acetamide?
2-[2-(methoxymethyl)-1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]acetamide has a molecular weight of 279.34 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methoxymethyl)-1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]acetamide is sourced from PubChem (CID 132776077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).