1-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-(124I)iodopyrimidine-2,4-dione

C10H11IN2O3 — CID 23731158

IUPAC1-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-(124I)iodopyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n([C@H]2C=C[C@@H](CO)C2)cc1[124I]
InChIInChI=1S/C10H11IN2O3/c11-8-4-13(10(16)12-9(8)15)7-2-1-6(3-7)5-14/h1-2,4,6-7,14H,3,5H2,(H,12,15,16)/t6-,7+/m1/s1/i11-3
InChIKeyFIGOIHRJINUHNT-PIBQXFTLSA-N
MW331.12 g/mol
LogP0.25
Rot. Bonds2

About 1-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-(124I)iodopyrimidine-2,4-dione

1-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-(124I)iodopyrimidine-2,4-dione (PubChem CID 23731158) has the molecular formula C10H11IN2O3 and a molecular weight of 331.12 g/mol. Its IUPAC name is 1-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-(124I)iodopyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-(124I)iodopyrimidine-2,4-dione
PubChem CID23731158
Molecular FormulaC10H11IN2O3
Molecular Weight331.12 g/mol
Exact Mass330.98
IUPAC Name1-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-(124I)iodopyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n([C@H]2C=C[C@@H](CO)C2)cc1[124I]
InChIInChI=1S/C10H11IN2O3/c11-8-4-13(10(16)12-9(8)15)7-2-1-6(3-7)5-14/h1-2,4,6-7,14H,3,5H2,(H,12,15,16)/t6-,7+/m1/s1/i11-3
InChIKeyFIGOIHRJINUHNT-PIBQXFTLSA-N
XLogP0.25
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.12
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione
CID 14776483
5-(furan-2-yl)-1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-2,4-dione
CID 10378633
2-amino-9-[4-(hydroxymethyl)cyclopent-2-en-1-yl]-1H-purin-6-one
CID 135403630
1-[2-hydroxy-4,5-bis(hydroxymethyl)cyclohexyl]-5-iodopyrimidine-2,4-dione
CID 18950462
1-[(1S,5S)-4-(deuteriomethyl)-5-hydroxycyclohex-2-en-1-yl]-5-methylpyrimidine-2,4-dione
CID 89476260
1-[3-amino-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
CID 14097531
1-[(1R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-5-iodopyrimidine-2,4-dione
CID 155579064
1-[(1S,2R,3R,4R)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-5-methylpyrimidine-2,4-dione
CID 46186324
1-[(1R,3S,4S)-3-amino-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
CID 14097532
1-[(4S,5S)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-5-iodopyrimidine-2,4-dione
CID 101108224
5-fluoro-1-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 14541189
[(1R,4S)-4-(2,6-diaminopurin-9-yl)cyclopent-2-en-1-yl]methanol
CID 10243640

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-(124I)iodopyrimidine-2,4-dione?
The IUPAC name of 1-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-(124I)iodopyrimidine-2,4-dione (CID 23731158) is 1-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-(124I)iodopyrimidine-2,4-dione.
What is the SMILES notation for 1-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-(124I)iodopyrimidine-2,4-dione?
The canonical SMILES for 1-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-(124I)iodopyrimidine-2,4-dione is O=c1[nH]c(=O)n([C@H]2C=C[C@@H](CO)C2)cc1[124I].
What is the InChIKey of 1-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-(124I)iodopyrimidine-2,4-dione?
The InChIKey is FIGOIHRJINUHNT-PIBQXFTLSA-N. The full InChI is InChI=1S/C10H11IN2O3/c11-8-4-13(10(16)12-9(8)15)7-2-1-6(3-7)5-14/h1-2,4,6-7,14H,3,5H2,(H,12,15,16)/t6-,7+/m1/s1/i11-3.
What are the key properties of 1-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-(124I)iodopyrimidine-2,4-dione?
1-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-(124I)iodopyrimidine-2,4-dione has a molecular weight of 331.12 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-(124I)iodopyrimidine-2,4-dione is sourced from PubChem (CID 23731158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).