1-[(1S)-3-(hydroxymethyl)cyclopent-3-en-1-yl]-5-methylpyrimidine-2,4-dione

C11H14N2O3 — CID 11009540

IUPAC1-[(1S)-3-(hydroxymethyl)cyclopent-3-en-1-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@H]2CC=C(CO)C2)c(=O)[nH]c1=O
InChIInChI=1S/C11H14N2O3/c1-7-5-13(11(16)12-10(7)15)9-3-2-8(4-9)6-14/h2,5,9,14H,3-4,6H2,1H3,(H,12,15,16)/t9-/m0/s1
InChIKeyUVVCEOFVULZRIK-VIFPVBQESA-N
MW222.24 g/mol
LogP0.10
Rot. Bonds2

About 1-[(1S)-3-(hydroxymethyl)cyclopent-3-en-1-yl]-5-methylpyrimidine-2,4-dione

1-[(1S)-3-(hydroxymethyl)cyclopent-3-en-1-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 11009540) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 1-[(1S)-3-(hydroxymethyl)cyclopent-3-en-1-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(1S)-3-(hydroxymethyl)cyclopent-3-en-1-yl]-5-methylpyrimidine-2,4-dione
PubChem CID11009540
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name1-[(1S)-3-(hydroxymethyl)cyclopent-3-en-1-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@H]2CC=C(CO)C2)c(=O)[nH]c1=O
InChIInChI=1S/C11H14N2O3/c1-7-5-13(11(16)12-10(7)15)9-3-2-8(4-9)6-14/h2,5,9,14H,3-4,6H2,1H3,(H,12,15,16)/t9-/m0/s1
InChIKeyUVVCEOFVULZRIK-VIFPVBQESA-N
XLogP0.10
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-amino-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
CID 14097531
1-[(1R,3S,4S)-3-amino-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
CID 14097532
1-[(1R,4R)-3-(18F)fluoro-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
CID 158344832
1-[(1S,3R)-3-hydroxycyclopentyl]-5-methylpyrimidine-2,4-dione
CID 10443092
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione
CID 14776483
5-methyl-1-[(1S)-3-[(8-methyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)oxymethyl]cyclopent-3-en-1-yl]pyrimidine-2,4-dione
CID 164686533
1-[(2R,5S)-5-(hydroxymethyl)-3-oxooxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 57228598
1-[(3S,5R)-5-hydroxypiperidin-3-yl]-5-methylpyrimidine-2,4-dione
CID 51050699
1-[4-chloro-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 14035977
1-[2-fluoro-4-hydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione
CID 59753793
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;methane
CID 174884873
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]-5-methyl(1,3-15N2)pyrimidine-2,4-dione
CID 118855773

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-3-(hydroxymethyl)cyclopent-3-en-1-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(1S)-3-(hydroxymethyl)cyclopent-3-en-1-yl]-5-methylpyrimidine-2,4-dione (CID 11009540) is 1-[(1S)-3-(hydroxymethyl)cyclopent-3-en-1-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(1S)-3-(hydroxymethyl)cyclopent-3-en-1-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(1S)-3-(hydroxymethyl)cyclopent-3-en-1-yl]-5-methylpyrimidine-2,4-dione is Cc1cn([C@H]2CC=C(CO)C2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(1S)-3-(hydroxymethyl)cyclopent-3-en-1-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is UVVCEOFVULZRIK-VIFPVBQESA-N. The full InChI is InChI=1S/C11H14N2O3/c1-7-5-13(11(16)12-10(7)15)9-3-2-8(4-9)6-14/h2,5,9,14H,3-4,6H2,1H3,(H,12,15,16)/t9-/m0/s1.
What are the key properties of 1-[(1S)-3-(hydroxymethyl)cyclopent-3-en-1-yl]-5-methylpyrimidine-2,4-dione?
1-[(1S)-3-(hydroxymethyl)cyclopent-3-en-1-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 222.24 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-3-(hydroxymethyl)cyclopent-3-en-1-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 11009540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).