2-methyl-3-pyrrolidin-1-ylbenzamide

C12H16N2O — CID 154257026

IUPAC2-methyl-3-pyrrolidin-1-ylbenzamide
SMILESCc1c(C(N)=O)cccc1N1CCCC1
InChIInChI=1S/C12H16N2O/c1-9-10(12(13)15)5-4-6-11(9)14-7-2-3-8-14/h4-6H,2-3,7-8H2,1H3,(H2,13,15)
InChIKeyOTMWLSBCLQMLPU-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.69
Rot. Bonds2

About 2-methyl-3-pyrrolidin-1-ylbenzamide

2-methyl-3-pyrrolidin-1-ylbenzamide (PubChem CID 154257026) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-methyl-3-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name2-methyl-3-pyrrolidin-1-ylbenzamide
PubChem CID154257026
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-methyl-3-pyrrolidin-1-ylbenzamide
SMILESCc1c(C(N)=O)cccc1N1CCCC1
InChIInChI=1S/C12H16N2O/c1-9-10(12(13)15)5-4-6-11(9)14-7-2-3-8-14/h4-6H,2-3,7-8H2,1H3,(H2,13,15)
InChIKeyOTMWLSBCLQMLPU-UHFFFAOYSA-N
XLogP1.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-pyrrolidin-1-ylbenzamide?
The IUPAC name of 2-methyl-3-pyrrolidin-1-ylbenzamide (CID 154257026) is 2-methyl-3-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 2-methyl-3-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 2-methyl-3-pyrrolidin-1-ylbenzamide is Cc1c(C(N)=O)cccc1N1CCCC1.
What is the InChIKey of 2-methyl-3-pyrrolidin-1-ylbenzamide?
The InChIKey is OTMWLSBCLQMLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9-10(12(13)15)5-4-6-11(9)14-7-2-3-8-14/h4-6H,2-3,7-8H2,1H3,(H2,13,15).
What are the key properties of 2-methyl-3-pyrrolidin-1-ylbenzamide?
2-methyl-3-pyrrolidin-1-ylbenzamide has a molecular weight of 204.27 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 154257026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).