5-amino-2-pyrrolidin-1-ylbenzamide

C11H15N3O — CID 652625

IUPAC5-amino-2-pyrrolidin-1-ylbenzamide
SMILESNC(=O)c1cc(N)ccc1N1CCCC1
InChIInChI=1S/C11H15N3O/c12-8-3-4-10(9(7-8)11(13)15)14-5-1-2-6-14/h3-4,7H,1-2,5-6,12H2,(H2,13,15)
InChIKeyZGAKJYKEQQWIJS-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.97
Rot. Bonds2

About 5-amino-2-pyrrolidin-1-ylbenzamide

5-amino-2-pyrrolidin-1-ylbenzamide (PubChem CID 652625) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 5-amino-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name5-amino-2-pyrrolidin-1-ylbenzamide
PubChem CID652625
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name5-amino-2-pyrrolidin-1-ylbenzamide
SMILESNC(=O)c1cc(N)ccc1N1CCCC1
InChIInChI=1S/C11H15N3O/c12-8-3-4-10(9(7-8)11(13)15)14-5-1-2-6-14/h3-4,7H,1-2,5-6,12H2,(H2,13,15)
InChIKeyZGAKJYKEQQWIJS-UHFFFAOYSA-N
XLogP0.97
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of 5-amino-2-pyrrolidin-1-ylbenzamide (CID 652625) is 5-amino-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 5-amino-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 5-amino-2-pyrrolidin-1-ylbenzamide is NC(=O)c1cc(N)ccc1N1CCCC1.
What is the InChIKey of 5-amino-2-pyrrolidin-1-ylbenzamide?
The InChIKey is ZGAKJYKEQQWIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c12-8-3-4-10(9(7-8)11(13)15)14-5-1-2-6-14/h3-4,7H,1-2,5-6,12H2,(H2,13,15).
What are the key properties of 5-amino-2-pyrrolidin-1-ylbenzamide?
5-amino-2-pyrrolidin-1-ylbenzamide has a molecular weight of 205.26 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 652625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).