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

C14H15N3O4 — CID 46531858

IUPAC(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)prop-2-enamide
SMILESCn1cc(/C=C/C(=O)NCc2ccco2)c(=O)n(C)c1=O
InChIInChI=1S/C14H15N3O4/c1-16-9-10(13(19)17(2)14(16)20)5-6-12(18)15-8-11-4-3-7-21-11/h3-7,9H,8H2,1-2H3,(H,15,18)/b6-5+
InChIKeyYMLCCVUHFDVWQO-AATRIKPKSA-N
MW289.29 g/mol
LogP0.01
Rot. Bonds4

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

(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)prop-2-enamide (PubChem CID 46531858) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)prop-2-enamide
PubChem CID46531858
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)prop-2-enamide
SMILESCn1cc(/C=C/C(=O)NCc2ccco2)c(=O)n(C)c1=O
InChIInChI=1S/C14H15N3O4/c1-16-9-10(13(19)17(2)14(16)20)5-6-12(18)15-8-11-4-3-7-21-11/h3-7,9H,8H2,1-2H3,(H,15,18)/b6-5+
InChIKeyYMLCCVUHFDVWQO-AATRIKPKSA-N
XLogP0.01
TPSA86.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 50.01
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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Related Compounds

(E)-N-[(4-chlorophenyl)methyl]-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enamide
CID 42153438
(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)prop-2-enamide
CID 17491136
N-(furan-2-ylmethyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 873864
(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-[(1S)-2-methyl-1-phenylpropyl]prop-2-enamide
CID 31356770
(E)-N-[2-(diethylamino)-3-phenylpropyl]-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enamide
CID 134063104
(E)-N-(furan-2-ylmethyl)-3-[4-(2-methylpropyl)phenyl]prop-2-enamide
CID 6379903
4-(carbamoylamino)-N-[(Z)-4-[[(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enoyl]amino]but-2-enyl]butanamide
CID 167888960
(E)-N-(furan-2-ylmethyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide
CID 9034422
(E)-N-(furan-2-ylmethyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide
CID 2406222
N-(furan-2-ylmethyl)acetamide
CID 2394850
(E)-3-(3-fluoro-4-methoxyphenyl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 9034480
2-methylpropyl (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enoate
CID 14442515

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)prop-2-enamide (CID 46531858) is (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)prop-2-enamide is Cn1cc(/C=C/C(=O)NCc2ccco2)c(=O)n(C)c1=O.
What is the InChIKey of (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)prop-2-enamide?
The InChIKey is YMLCCVUHFDVWQO-AATRIKPKSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-16-9-10(13(19)17(2)14(16)20)5-6-12(18)15-8-11-4-3-7-21-11/h3-7,9H,8H2,1-2H3,(H,15,18)/b6-5+.
What are the key properties of (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)prop-2-enamide?
(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)prop-2-enamide has a molecular weight of 289.29 g/mol, XLogP of 0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 46531858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).