pyrrolo[2,1-f]purin-2-one

C8H4N4O — CID 141333234

IUPACpyrrolo[2,1-f]purin-2-one
SMILESO=C1N=c2ncn3cccc3c2=N1
InChIInChI=1S/C8H4N4O/c13-8-10-6-5-2-1-3-12(5)4-9-7(6)11-8/h1-4H
InChIKeyMQUDNFPWKBOUAN-UHFFFAOYSA-N
MW172.15 g/mol
LogP-0.29
Rot. Bonds

About pyrrolo[2,1-f]purin-2-one

pyrrolo[2,1-f]purin-2-one (PubChem CID 141333234) has the molecular formula C8H4N4O and a molecular weight of 172.15 g/mol. Its IUPAC name is pyrrolo[2,1-f]purin-2-one.

Molecular Properties

Compound Namepyrrolo[2,1-f]purin-2-one
PubChem CID141333234
Molecular FormulaC8H4N4O
Molecular Weight172.15 g/mol
Exact Mass172.04
IUPAC Namepyrrolo[2,1-f]purin-2-one
SMILESO=C1N=c2ncn3cccc3c2=N1
InChIInChI=1S/C8H4N4O/c13-8-10-6-5-2-1-3-12(5)4-9-7(6)11-8/h1-4H
InChIKeyMQUDNFPWKBOUAN-UHFFFAOYSA-N
XLogP-0.29
TPSA59.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.15
LogP ≤ 5-0.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of pyrrolo[2,1-f]purin-2-one?
The IUPAC name of pyrrolo[2,1-f]purin-2-one (CID 141333234) is pyrrolo[2,1-f]purin-2-one.
What is the SMILES notation for pyrrolo[2,1-f]purin-2-one?
The canonical SMILES for pyrrolo[2,1-f]purin-2-one is O=C1N=c2ncn3cccc3c2=N1.
What is the InChIKey of pyrrolo[2,1-f]purin-2-one?
The InChIKey is MQUDNFPWKBOUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N4O/c13-8-10-6-5-2-1-3-12(5)4-9-7(6)11-8/h1-4H.
What are the key properties of pyrrolo[2,1-f]purin-2-one?
pyrrolo[2,1-f]purin-2-one has a molecular weight of 172.15 g/mol, XLogP of -0.29, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolo[2,1-f]purin-2-one is sourced from PubChem (CID 141333234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).