(E)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(5-methylfuran-2-yl)prop-2-enamide

C14H15N3O4 — CID 896656

IUPAC(E)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2cc(=O)n(C)c(=O)n2C)o1
InChIInChI=1S/C14H15N3O4/c1-9-4-5-10(21-9)6-7-12(18)15-11-8-13(19)17(3)14(20)16(11)2/h4-8H,1-3H3,(H,15,18)/b7-6+
InChIKeyISGFWZFWXJRSSK-VOTSOKGWSA-N
MW289.29 g/mol
LogP0.64
Rot. Bonds3

About (E)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(5-methylfuran-2-yl)prop-2-enamide

(E)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(5-methylfuran-2-yl)prop-2-enamide (PubChem CID 896656) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is (E)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(5-methylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(5-methylfuran-2-yl)prop-2-enamide
PubChem CID896656
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name(E)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2cc(=O)n(C)c(=O)n2C)o1
InChIInChI=1S/C14H15N3O4/c1-9-4-5-10(21-9)6-7-12(18)15-11-8-13(19)17(3)14(20)16(11)2/h4-8H,1-3H3,(H,15,18)/b7-6+
InChIKeyISGFWZFWXJRSSK-VOTSOKGWSA-N
XLogP0.64
TPSA86.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(5-methylfuran-2-yl)prop-2-enamide (CID 896656) is (E)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(5-methylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(5-methylfuran-2-yl)prop-2-enamide is Cc1ccc(/C=C/C(=O)Nc2cc(=O)n(C)c(=O)n2C)o1.
What is the InChIKey of (E)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The InChIKey is ISGFWZFWXJRSSK-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-9-4-5-10(21-9)6-7-12(18)15-11-8-13(19)17(3)14(20)16(11)2/h4-8H,1-3H3,(H,15,18)/b7-6+.
What are the key properties of (E)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(5-methylfuran-2-yl)prop-2-enamide?
(E)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(5-methylfuran-2-yl)prop-2-enamide has a molecular weight of 289.29 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(5-methylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 896656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).