2-(1-oxo-7,8-dihydro-6H-purino[7,8-a]pyrrol-2-yl)acetamide

C10H11N5O2 — CID 900107

IUPAC2-(1-oxo-7,8-dihydro-6H-purino[7,8-a]pyrrol-2-yl)acetamide
SMILESNC(=O)Cn1cnc2nc3n(c2c1=O)CCC3
InChIInChI=1S/C10H11N5O2/c11-6(16)4-14-5-12-9-8(10(14)17)15-3-1-2-7(15)13-9/h5H,1-4H2,(H2,11,16)
InChIKeyPTZCUFPEVFJOKR-UHFFFAOYSA-N
MW233.23 g/mol
LogP-0.98
Rot. Bonds2

About 2-(1-oxo-7,8-dihydro-6H-purino[7,8-a]pyrrol-2-yl)acetamide

2-(1-oxo-7,8-dihydro-6H-purino[7,8-a]pyrrol-2-yl)acetamide (PubChem CID 900107) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is 2-(1-oxo-7,8-dihydro-6H-purino[7,8-a]pyrrol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-oxo-7,8-dihydro-6H-purino[7,8-a]pyrrol-2-yl)acetamide
PubChem CID900107
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name2-(1-oxo-7,8-dihydro-6H-purino[7,8-a]pyrrol-2-yl)acetamide
SMILESNC(=O)Cn1cnc2nc3n(c2c1=O)CCC3
InChIInChI=1S/C10H11N5O2/c11-6(16)4-14-5-12-9-8(10(14)17)15-3-1-2-7(15)13-9/h5H,1-4H2,(H2,11,16)
InChIKeyPTZCUFPEVFJOKR-UHFFFAOYSA-N
XLogP-0.98
TPSA95.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 5-0.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-oxo-7,8-dihydro-6H-purino[7,8-a]pyrrol-2-yl)acetamide?
The IUPAC name of 2-(1-oxo-7,8-dihydro-6H-purino[7,8-a]pyrrol-2-yl)acetamide (CID 900107) is 2-(1-oxo-7,8-dihydro-6H-purino[7,8-a]pyrrol-2-yl)acetamide.
What is the SMILES notation for 2-(1-oxo-7,8-dihydro-6H-purino[7,8-a]pyrrol-2-yl)acetamide?
The canonical SMILES for 2-(1-oxo-7,8-dihydro-6H-purino[7,8-a]pyrrol-2-yl)acetamide is NC(=O)Cn1cnc2nc3n(c2c1=O)CCC3.
What is the InChIKey of 2-(1-oxo-7,8-dihydro-6H-purino[7,8-a]pyrrol-2-yl)acetamide?
The InChIKey is PTZCUFPEVFJOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c11-6(16)4-14-5-12-9-8(10(14)17)15-3-1-2-7(15)13-9/h5H,1-4H2,(H2,11,16).
What are the key properties of 2-(1-oxo-7,8-dihydro-6H-purino[7,8-a]pyrrol-2-yl)acetamide?
2-(1-oxo-7,8-dihydro-6H-purino[7,8-a]pyrrol-2-yl)acetamide has a molecular weight of 233.23 g/mol, XLogP of -0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxo-7,8-dihydro-6H-purino[7,8-a]pyrrol-2-yl)acetamide is sourced from PubChem (CID 900107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).