N-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide

C14H19N3O3 — CID 2149981

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)NCCC1=CCCCC1
InChIInChI=1S/C14H19N3O3/c18-12(8-11-9-13(19)17-14(20)16-11)15-7-6-10-4-2-1-3-5-10/h4,9H,1-3,5-8H2,(H,15,18)(H2,16,17,19,20)
InChIKeyVJQQDVKYTXVPTJ-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.61
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide (PubChem CID 2149981) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide
PubChem CID2149981
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)NCCC1=CCCCC1
InChIInChI=1S/C14H19N3O3/c18-12(8-11-9-13(19)17-14(20)16-11)15-7-6-10-4-2-1-3-5-10/h4,9H,1-3,5-8H2,(H,15,18)(H2,16,17,19,20)
InChIKeyVJQQDVKYTXVPTJ-UHFFFAOYSA-N
XLogP0.61
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide (CID 2149981) is N-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide is O=C(Cc1cc(=O)[nH]c(=O)[nH]1)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide?
The InChIKey is VJQQDVKYTXVPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c18-12(8-11-9-13(19)17-14(20)16-11)15-7-6-10-4-2-1-3-5-10/h4,9H,1-3,5-8H2,(H,15,18)(H2,16,17,19,20).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide has a molecular weight of 277.32 g/mol, XLogP of 0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide is sourced from PubChem (CID 2149981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).