3-hydroxy-7,7a-dihydro-1H-pyrrolo[2,3-d]pyrimidin-2-one

C6H7N3O2 — CID 138706232

IUPAC3-hydroxy-7,7a-dihydro-1H-pyrrolo[2,3-d]pyrimidin-2-one
SMILESO=C1NC2NC=CC2=CN1O
InChIInChI=1S/C6H7N3O2/c10-6-8-5-4(1-2-7-5)3-9(6)11/h1-3,5,7,11H,(H,8,10)
InChIKeyNTYIJOAUBSOIGK-UHFFFAOYSA-N
MW153.14 g/mol
LogP-0.27
Rot. Bonds

About 3-hydroxy-7,7a-dihydro-1H-pyrrolo[2,3-d]pyrimidin-2-one

3-hydroxy-7,7a-dihydro-1H-pyrrolo[2,3-d]pyrimidin-2-one (PubChem CID 138706232) has the molecular formula C6H7N3O2 and a molecular weight of 153.14 g/mol. Its IUPAC name is 3-hydroxy-7,7a-dihydro-1H-pyrrolo[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name3-hydroxy-7,7a-dihydro-1H-pyrrolo[2,3-d]pyrimidin-2-one
PubChem CID138706232
Molecular FormulaC6H7N3O2
Molecular Weight153.14 g/mol
Exact Mass153.05
IUPAC Name3-hydroxy-7,7a-dihydro-1H-pyrrolo[2,3-d]pyrimidin-2-one
SMILESO=C1NC2NC=CC2=CN1O
InChIInChI=1S/C6H7N3O2/c10-6-8-5-4(1-2-7-5)3-9(6)11/h1-3,5,7,11H,(H,8,10)
InChIKeyNTYIJOAUBSOIGK-UHFFFAOYSA-N
XLogP-0.27
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

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Related Compounds

3-[4-[(3-aminopiperidin-1-yl)methyl]phenyl]-7,7a-dihydro-1H-pyrrolo[2,3-d]pyrimidin-2-one
CID 123440090
(4aR,8aR)-4a,5,6,7,8,8a-hexahydro-1H-quinolin-4-one
CID 102254658
7-sulfanyl-1,7a-dihydropyrrolo[2,3-b]pyridine
CID 89005583
ethyl 4-methyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 163462640
2-methyl-1,2-dihydropyrrol-3-one
CID 23184788
2,3-dihydroxy-1,2-dihydropyrimidin-6-one
CID 141173753
(2S)-2,3-dimethyl-1,2-dihydropyrimidin-4-one
CID 93499476
2-methyl-1,2,3,4-tetrahydroazepin-5-one
CID 55286646
3,4-dioxo-1,2-dihydropyridine-2-carboxylic acid
CID 166174569
8-methyl-1,2,3,4,4a,5-hexahydropyrido[2,3-b]pyrazine
CID 86340920
1,4,5,6,6-pentahydroxy-1,3,5-triazinan-2-one
CID 174387108
(4aS,8aS)-2,3-dimethyl-4a,5,6,7,8,8a-hexahydrophthalazine-1,4-dione
CID 131855842

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-7,7a-dihydro-1H-pyrrolo[2,3-d]pyrimidin-2-one?
The IUPAC name of 3-hydroxy-7,7a-dihydro-1H-pyrrolo[2,3-d]pyrimidin-2-one (CID 138706232) is 3-hydroxy-7,7a-dihydro-1H-pyrrolo[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 3-hydroxy-7,7a-dihydro-1H-pyrrolo[2,3-d]pyrimidin-2-one?
The canonical SMILES for 3-hydroxy-7,7a-dihydro-1H-pyrrolo[2,3-d]pyrimidin-2-one is O=C1NC2NC=CC2=CN1O.
What is the InChIKey of 3-hydroxy-7,7a-dihydro-1H-pyrrolo[2,3-d]pyrimidin-2-one?
The InChIKey is NTYIJOAUBSOIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2/c10-6-8-5-4(1-2-7-5)3-9(6)11/h1-3,5,7,11H,(H,8,10).
What are the key properties of 3-hydroxy-7,7a-dihydro-1H-pyrrolo[2,3-d]pyrimidin-2-one?
3-hydroxy-7,7a-dihydro-1H-pyrrolo[2,3-d]pyrimidin-2-one has a molecular weight of 153.14 g/mol, XLogP of -0.27, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-7,7a-dihydro-1H-pyrrolo[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 138706232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).