7-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

C12H13N3O2 — CID 135475591

About 7-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

7-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 135475591) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 7-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 7-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
• PubChem CID: 135475591
• Molecular Formula: C12H13N3O2
• Molecular Weight: 231.25 g/mol
• Exact Mass: 231.10
• IUPAC Name: 7-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
• SMILES: O=c1[nH]cnc2c([C@H]3C=C[C@@H](CO)C3)c[nH]c12
• InChI: InChI=1S/C12H13N3O2/c16-5-7-1-2-8(3-7)9-4-13-11-10(9)14-6-15-12(11)17/h1-2,4,6-8,13,16H,3,5H2,(H,14,15,17)/t7-,8+/m1/s1
• InChIKey: DXHHHUMXQOGRSR-SFYZADRCSA-N
• XLogP: 0.90
• TPSA: 81.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	231.25
LogP ≤ 5	0.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?

The IUPAC name of 7-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (CID 135475591) is 7-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.

What is the SMILES notation for 7-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?

The canonical SMILES for 7-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is O=c1[nH]cnc2c([C@H]3C=C[C@@H](CO)C3)c[nH]c12.

What is the InChIKey of 7-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?

The InChIKey is DXHHHUMXQOGRSR-SFYZADRCSA-N. The full InChI is InChI=1S/C12H13N3O2/c16-5-7-1-2-8(3-7)9-4-13-11-10(9)14-6-15-12(11)17/h1-2,4,6-8,13,16H,3,5H2,(H,14,15,17)/t7-,8+/m1/s1.

What are the key properties of 7-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?

7-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 231.25 g/mol, XLogP of 0.90, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135475591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).