2-amino-N-(2-chloropyrrol-1-yl)acetamide

C6H8ClN3O — CID 19928706

IUPAC2-amino-N-(2-chloropyrrol-1-yl)acetamide
SMILESNCC(=O)Nn1cccc1Cl
InChIInChI=1S/C6H8ClN3O/c7-5-2-1-3-10(5)9-6(11)4-8/h1-3H,4,8H2,(H,9,11)
InChIKeyHOPCKWYVUMXMOI-UHFFFAOYSA-N
MW173.60 g/mol
LogP0.17
Rot. Bonds2

About 2-amino-N-(2-chloropyrrol-1-yl)acetamide

2-amino-N-(2-chloropyrrol-1-yl)acetamide (PubChem CID 19928706) has the molecular formula C6H8ClN3O and a molecular weight of 173.60 g/mol. Its IUPAC name is 2-amino-N-(2-chloropyrrol-1-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(2-chloropyrrol-1-yl)acetamide
PubChem CID19928706
Molecular FormulaC6H8ClN3O
Molecular Weight173.60 g/mol
Exact Mass173.04
IUPAC Name2-amino-N-(2-chloropyrrol-1-yl)acetamide
SMILESNCC(=O)Nn1cccc1Cl
InChIInChI=1S/C6H8ClN3O/c7-5-2-1-3-10(5)9-6(11)4-8/h1-3H,4,8H2,(H,9,11)
InChIKeyHOPCKWYVUMXMOI-UHFFFAOYSA-N
XLogP0.17
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.60
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-chloropyrrol-1-yl)acetamide?
The IUPAC name of 2-amino-N-(2-chloropyrrol-1-yl)acetamide (CID 19928706) is 2-amino-N-(2-chloropyrrol-1-yl)acetamide.
What is the SMILES notation for 2-amino-N-(2-chloropyrrol-1-yl)acetamide?
The canonical SMILES for 2-amino-N-(2-chloropyrrol-1-yl)acetamide is NCC(=O)Nn1cccc1Cl.
What is the InChIKey of 2-amino-N-(2-chloropyrrol-1-yl)acetamide?
The InChIKey is HOPCKWYVUMXMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3O/c7-5-2-1-3-10(5)9-6(11)4-8/h1-3H,4,8H2,(H,9,11).
What are the key properties of 2-amino-N-(2-chloropyrrol-1-yl)acetamide?
2-amino-N-(2-chloropyrrol-1-yl)acetamide has a molecular weight of 173.60 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-chloropyrrol-1-yl)acetamide is sourced from PubChem (CID 19928706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).