N-cyclohex-3-en-1-yl-5-fluoro-2,4-dioxopyrimidine-1-carboxamide

C11H12FN3O3 — CID 10729535

IUPACN-cyclohex-3-en-1-yl-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
SMILESO=C(NC1CC=CCC1)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C11H12FN3O3/c12-8-6-15(11(18)14-9(8)16)10(17)13-7-4-2-1-3-5-7/h1-2,6-7H,3-5H2,(H,13,17)(H,14,16,18)
InChIKeyQIBZGDQRBOSKQQ-UHFFFAOYSA-N
MW253.23 g/mol
LogP0.34
Rot. Bonds1

About N-cyclohex-3-en-1-yl-5-fluoro-2,4-dioxopyrimidine-1-carboxamide

N-cyclohex-3-en-1-yl-5-fluoro-2,4-dioxopyrimidine-1-carboxamide (PubChem CID 10729535) has the molecular formula C11H12FN3O3 and a molecular weight of 253.23 g/mol. Its IUPAC name is N-cyclohex-3-en-1-yl-5-fluoro-2,4-dioxopyrimidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohex-3-en-1-yl-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
PubChem CID10729535
Molecular FormulaC11H12FN3O3
Molecular Weight253.23 g/mol
Exact Mass253.09
IUPAC NameN-cyclohex-3-en-1-yl-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
SMILESO=C(NC1CC=CCC1)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C11H12FN3O3/c12-8-6-15(11(18)14-9(8)16)10(17)13-7-4-2-1-3-5-7/h1-2,6-7H,3-5H2,(H,13,17)(H,14,16,18)
InChIKeyQIBZGDQRBOSKQQ-UHFFFAOYSA-N
XLogP0.34
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohex-3-en-1-yl-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
The IUPAC name of N-cyclohex-3-en-1-yl-5-fluoro-2,4-dioxopyrimidine-1-carboxamide (CID 10729535) is N-cyclohex-3-en-1-yl-5-fluoro-2,4-dioxopyrimidine-1-carboxamide.
What is the SMILES notation for N-cyclohex-3-en-1-yl-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
The canonical SMILES for N-cyclohex-3-en-1-yl-5-fluoro-2,4-dioxopyrimidine-1-carboxamide is O=C(NC1CC=CCC1)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of N-cyclohex-3-en-1-yl-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
The InChIKey is QIBZGDQRBOSKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O3/c12-8-6-15(11(18)14-9(8)16)10(17)13-7-4-2-1-3-5-7/h1-2,6-7H,3-5H2,(H,13,17)(H,14,16,18).
What are the key properties of N-cyclohex-3-en-1-yl-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
N-cyclohex-3-en-1-yl-5-fluoro-2,4-dioxopyrimidine-1-carboxamide has a molecular weight of 253.23 g/mol, XLogP of 0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-3-en-1-yl-5-fluoro-2,4-dioxopyrimidine-1-carboxamide is sourced from PubChem (CID 10729535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).