6-chloro-5-[(E)-prop-1-enyl]-1H-pyrimidine-2,4-dione

C7H7ClN2O2 — CID 23648524

IUPAC6-chloro-5-[(E)-prop-1-enyl]-1H-pyrimidine-2,4-dione
SMILESC/C=C/c1c(Cl)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H7ClN2O2/c1-2-3-4-5(8)9-7(12)10-6(4)11/h2-3H,1H3,(H2,9,10,11,12)/b3-2+
InChIKeyLGYIOPWXYKUGPC-NSCUHMNNSA-N
MW186.60 g/mol
LogP0.75
Rot. Bonds1

About 6-chloro-5-[(E)-prop-1-enyl]-1H-pyrimidine-2,4-dione

6-chloro-5-[(E)-prop-1-enyl]-1H-pyrimidine-2,4-dione (PubChem CID 23648524) has the molecular formula C7H7ClN2O2 and a molecular weight of 186.60 g/mol. Its IUPAC name is 6-chloro-5-[(E)-prop-1-enyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-5-[(E)-prop-1-enyl]-1H-pyrimidine-2,4-dione
PubChem CID23648524
Molecular FormulaC7H7ClN2O2
Molecular Weight186.60 g/mol
Exact Mass186.02
IUPAC Name6-chloro-5-[(E)-prop-1-enyl]-1H-pyrimidine-2,4-dione
SMILESC/C=C/c1c(Cl)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H7ClN2O2/c1-2-3-4-5(8)9-7(12)10-6(4)11/h2-3H,1H3,(H2,9,10,11,12)/b3-2+
InChIKeyLGYIOPWXYKUGPC-NSCUHMNNSA-N
XLogP0.75
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.60
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[(E)-prop-1-enyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-5-[(E)-prop-1-enyl]-1H-pyrimidine-2,4-dione (CID 23648524) is 6-chloro-5-[(E)-prop-1-enyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-5-[(E)-prop-1-enyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-5-[(E)-prop-1-enyl]-1H-pyrimidine-2,4-dione is C/C=C/c1c(Cl)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-chloro-5-[(E)-prop-1-enyl]-1H-pyrimidine-2,4-dione?
The InChIKey is LGYIOPWXYKUGPC-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H7ClN2O2/c1-2-3-4-5(8)9-7(12)10-6(4)11/h2-3H,1H3,(H2,9,10,11,12)/b3-2+.
What are the key properties of 6-chloro-5-[(E)-prop-1-enyl]-1H-pyrimidine-2,4-dione?
6-chloro-5-[(E)-prop-1-enyl]-1H-pyrimidine-2,4-dione has a molecular weight of 186.60 g/mol, XLogP of 0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[(E)-prop-1-enyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 23648524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).