9-pyrrol-1-yl-7H-purin-8-one

C9H7N5O — CID 174485391

IUPAC9-pyrrol-1-yl-7H-purin-8-one
SMILESO=c1[nH]c2cncnc2n1-n1cccc1
InChIInChI=1S/C9H7N5O/c15-9-12-7-5-10-6-11-8(7)14(9)13-3-1-2-4-13/h1-6H,(H,12,15)
InChIKeyUNYVLBKNLQRTGG-UHFFFAOYSA-N
MW201.19 g/mol
LogP0.23
Rot. Bonds1

About 9-pyrrol-1-yl-7H-purin-8-one

9-pyrrol-1-yl-7H-purin-8-one (PubChem CID 174485391) has the molecular formula C9H7N5O and a molecular weight of 201.19 g/mol. Its IUPAC name is 9-pyrrol-1-yl-7H-purin-8-one.

Molecular Properties

Compound Name9-pyrrol-1-yl-7H-purin-8-one
PubChem CID174485391
Molecular FormulaC9H7N5O
Molecular Weight201.19 g/mol
Exact Mass201.07
IUPAC Name9-pyrrol-1-yl-7H-purin-8-one
SMILESO=c1[nH]c2cncnc2n1-n1cccc1
InChIInChI=1S/C9H7N5O/c15-9-12-7-5-10-6-11-8(7)14(9)13-3-1-2-4-13/h1-6H,(H,12,15)
InChIKeyUNYVLBKNLQRTGG-UHFFFAOYSA-N
XLogP0.23
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-(3-hydroxypropoxy)-7H-purin-8-one
CID 118418547
9-(3-methylbutyl)-7H-purin-8-one
CID 53181086
9-(oxan-4-yl)-7H-purin-8-one
CID 71061782
9-(1-methylsulfonylpiperidin-4-yl)-7H-purin-8-one
CID 141313318
9-[1-(thiophene-2-carbonyl)piperidin-4-yl]-7H-purin-8-one
CID 53181148
9-[(2R,4R)-5-(hydroxymethyl)-4-methyloxolan-2-yl]-7H-purin-8-one
CID 163296230
9-(1-but-2-ynoylpyrrolidin-3-yl)-7H-purin-8-one
CID 175848647
9-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-7H-purin-8-one
CID 53181149
9-[(3S)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]-7H-purin-8-one
CID 95105404
(4S)-5,5-dimethyl-3-[4-(8-oxo-7H-purin-9-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one
CID 71681649
9-[1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-3-yl]-7H-purin-8-one
CID 53181108
9-[1-[3-chloro-5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-4-yl]-7H-purin-8-one
CID 10025567

Frequently Asked Questions

What is the IUPAC name of 9-pyrrol-1-yl-7H-purin-8-one?
The IUPAC name of 9-pyrrol-1-yl-7H-purin-8-one (CID 174485391) is 9-pyrrol-1-yl-7H-purin-8-one.
What is the SMILES notation for 9-pyrrol-1-yl-7H-purin-8-one?
The canonical SMILES for 9-pyrrol-1-yl-7H-purin-8-one is O=c1[nH]c2cncnc2n1-n1cccc1.
What is the InChIKey of 9-pyrrol-1-yl-7H-purin-8-one?
The InChIKey is UNYVLBKNLQRTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5O/c15-9-12-7-5-10-6-11-8(7)14(9)13-3-1-2-4-13/h1-6H,(H,12,15).
What are the key properties of 9-pyrrol-1-yl-7H-purin-8-one?
9-pyrrol-1-yl-7H-purin-8-one has a molecular weight of 201.19 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-pyrrol-1-yl-7H-purin-8-one is sourced from PubChem (CID 174485391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).